SCHEMBL733659

SCHEMBL733659

Cc1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.52
HTR6 P50406 2/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
ATM Q13315 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL29994158 1.00 SLC6A4 (0.52) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL12377872 0.85 SLC6A4 (0.48) SLC6A4HTR6ATMIDO1
Indole SCHEMBL733982 0.84 IMPDH2 (0.55) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL13323651 0.81 HTR6 (0.63) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL20846158 0.79 HTR6 (0.51) SLC6A4HTR6SLC6A2SLC6A3
SCHEMBL20561892 0.78 HTR6 (0.50) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL14142175 0.78 AR (0.51) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL22359655 0.78 SLC6A4 (0.49) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL3627983 0.78 MAP3K14 (0.54) SLC6A4HTR6SLC6A2SLC6A3HTR1A
SCHEMBL401146 0.78 DRD2 (0.49) SLC6A4HTR6SLC6A2SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed
EP-3730489-A1 HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2020-10-28 EP disclosed
EP-3423443-B1 CYANO-SUBSTITUTED INDOLE COMPOUNDS AND USES THEREOF AS LSD1 INHIBITORS NOVARTIS AG (CH) 2020-08-19 EP disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
WO-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
CN-101516844-A 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH (DE) 2009-08-26 CN disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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 (9 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 SLC6A4 4744/4885HTR6 1959/4885SLC6A2 4733/4885
US-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A SLC6A4 20/4885HTR6 8/4885SLC6A2 30/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A SLC6A4 4729/4885HTR6 1822/4885SLC6A2 4689/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC SLC6A4 3759/4885HTR6 2850/4885SLC6A2 3995/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C SLC6A4 1574/4885HTR6 243/4885SLC6A2 811/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC SLC6A4 3759/4885HTR6 2850/4885SLC6A2 3995/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 SLC6A4 4619/4885HTR6 2305/4885SLC6A2 4652/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C SLC6A4 1146/4885HTR6 992/4885SLC6A2 166/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 SLC6A4 4610/4885HTR6 3495/4885SLC6A2 4651/4885

“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.