SCHEMBL1615698

SCHEMBL1615698

CC(C)c1cnc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23349333 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CSMN1; SMN2NOS3
SCHEMBL17177529 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CSMN1; SMN2NOS3
SCHEMBL15871379 0.96 ADRA2A (0.40) ADRA2AADRA2BADRA2CSMN1; SMN2NOS3
SCHEMBL20841144 0.81 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL22006679 0.80 ADRA2A (0.41) ADRA2AADRA2BADRA2CNOS3NOS1
SCHEMBL19042832 0.79 ADRA2A (0.36) ADRA2AADRA2BADRA2CGAAHSD17B10
SCHEMBL20883967 0.75 HTR2C (0.38) ADRA2AADRA2BADRA2C
SCHEMBL16265242 0.75 CYP3A4 (0.37) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL16265134 0.75 PIK3CD (0.30)
SCHEMBL23349385 0.74 ADRA2A (0.34) ADRA2AADRA2BADRA2CSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
EP-3322417-B1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS UNIV TEXAS (US) 2023-08-23 EP disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 US disclosed
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-10 US disclosed
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 US disclosed
US-20230002320-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 US disclosed
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof SILVERBACK THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I CD74, HLA-DRB1, MICA ADRA2A 634/4885ADRA2B 1241/4885ADRA2C 579/4885
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 2080/4885ADRA2B 2507/4885ADRA2C 2470/4885
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 2080/4885ADRA2B 2507/4885ADRA2C 2470/4885
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers ACAT1, ACAT2, NPC1L1 ADRA2A 2763/4885ADRA2B 3039/4885ADRA2C 3241/4885
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS ADRA2A 1968/4885ADRA2B 2391/4885ADRA2C 2132/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ADRA2A 983/4885ADRA2B 732/4885ADRA2C 968/4885
US-20230002320-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 1954/4885ADRA2B 2115/4885ADRA2C 2402/4885
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 ADRA2A 4569/4885ADRA2B 4360/4885ADRA2C 3803/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ADRA2A 182/4885ADRA2B 263/4885ADRA2C 278/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ADRA2A 4214/4885ADRA2B 3650/4885ADRA2C 3096/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 ADRA2A 950/4885ADRA2B 1148/4885ADRA2C 811/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ADRA2A 983/4885ADRA2B 732/4885ADRA2C 968/4885
US-11541126-B1 Anti-ASGR1 antibody TLR8 agonist comprising conjugates and uses thereof ASGR1, TLR8, HAVCR2 ADRA2A 817/4885ADRA2B 1099/4885ADRA2C 1306/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.