SCHEMBL3429112

SCHEMBL3429112

CC(C)c1ccc2c(n1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.40
ADRA2B P18089 5/20 0.40
ADRA2C P18825 5/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.37
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CDK5 Q00535 4/20 0.33
CDK5R1 Q15078 4/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32

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
SCHEMBL4170763 0.96 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877646 0.94 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL19817529 0.94 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877621 0.94 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL25060963 0.94 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24803728 0.88 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL25644900 0.86 GRM1 (0.35) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31003113 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24997680 0.82 GRM1 (0.38) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4203445 0.79 HTR2C (0.43) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 US disclosed
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2022-01-27 US disclosed
US-11091501-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-08-17 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2011-06-02 US disclosed
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2011-06-02 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP 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 (12 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRA2A 4400/4885ADRA2B 4470/4885ADRA2C 3995/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 ADRA2A 3042/4885ADRA2B 2696/4885ADRA2C 3499/4885
US-11091501-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 ADRA2A 3925/4885ADRA2B 2927/4885ADRA2C 2888/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRA2A 4400/4885ADRA2B 4470/4885ADRA2C 3995/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 ADRA2A 4304/4885ADRA2B 4399/4885ADRA2C 4418/4885
US-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI ADRA2A 2890/4885ADRA2B 2345/4885ADRA2C 1173/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 ADRA2A 560/4885ADRA2B 628/4885ADRA2C 598/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ADRA2A 4299/4885ADRA2B 4556/4885ADRA2C 4011/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ADRA2A 2557/4885ADRA2B 2445/4885ADRA2C 1643/4885
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRA2A 4478/4885ADRA2B 4524/4885ADRA2C 4066/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D ADRA2A 2847/4885ADRA2B 2555/4885ADRA2C 3391/4885

“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.