SCHEMBL8006934

SCHEMBL8006934

CCc1cnc2c(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
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDM4E B2RXH2 2/20 0.38
HRH3 Q9Y5N1 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP11B2 P19099 1/20 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
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL23349384 0.98 CDK5 (0.43) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL16256872 0.98 CDK5 (0.43) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL13501653 0.96 CDK5 (0.40) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL23349329 0.85 ADRA2A (0.45) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL11970269 0.84 ADRA2A (0.44) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL12464714 0.83 CDK5 (0.33) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL11967236 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL24869480 0.81 DRD2 (0.41) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL18183850 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL31258757 0.81 ADRA2A (0.44) ADRA2AADRA2BADRA2CCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130673-A1 POLYMER AND PREPARATION METHOD THEREFOR 深圳华大生命科学研究院 2024-06-27 WO 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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-8329715-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2012-12-11 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
US-8283346-B2 Human immunodeficiency virus protease inhibitors THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-20120172381-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2012-07-05 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
WO-2009094528-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-α SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-07-30 WO disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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 (10 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ADRA2A 941/4885ADRA2B 751/4885ADRA2C 930/4885
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 ADRA2A 45/4885ADRA2B 95/4885ADRA2C 25/4885
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR ADRA2A 73/4885ADRA2B 76/4885ADRA2C 74/4885
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 2080/4885ADRA2B 2507/4885ADRA2C 2470/4885
US-20120172381-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors PDE4A, PDE4B, TNF ADRA2A 927/4885ADRA2B 977/4885ADRA2C 456/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 ADRA2A 119/4885ADRA2B 129/4885ADRA2C 103/4885
US-20230002320-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADRA2A 1954/4885ADRA2B 2115/4885ADRA2C 2402/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ADRA2A 1953/4885ADRA2B 1426/4885ADRA2C 1031/4885
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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG ADRA2A 69/4885ADRA2B 77/4885ADRA2C 63/4885

“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.