SCHEMBL1752256

SCHEMBL1752256

CNn1c(=O)n2c3c(cccc31)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
HTR2A P28223 4/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR7 P34969 3/20 0.42
HTR6 P50406 3/20 0.42
MCL1 Q07820 2/20 0.41
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
HTR2C P28335 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL5906542 0.99 HPGD (0.45) HPGDHSD17B10ALDH1A1USP2HTR2A
Maleic Acid SCHEMBL5906530 0.90 MCL1 (0.43) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL1752534 0.82 HTR2A (0.41) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL4850625 0.80 HSD17B10 (0.49) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL7345457 0.78 HPGD (0.47) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL22868261 0.78 HTR2A (0.47) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL7345010 0.77 HSD17B10 (0.46) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL30040327 0.77 HSD17B10 (0.46) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL9431800 0.73 MCL1 (0.49) HPGDHSD17B10ALDH1A1USP2HTR2A
SCHEMBL9635353 0.72 DRD2 (0.59) HPGDHSD17B10ALDH1A1USP2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909576-A2 NOVEL PHARMACEUTICAL COMPOUNDS Concert Pharmaceuticals Inc. (US) 2008-04-16 EP claimed
US-20070191381-A1 Novel pharmaceutical compounds CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 US claimed
US-20070037815-A1 Novel pharmaceutical compounds CONCERT PHARMACEUTICALS, INC. 2007-02-15 US claimed
WO-2007016361-A2 NOVEL PHARMACEUTICAL COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 WO claimed
US-20060040929-A1 (5R)-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione and method of preparation thereof MCCALL ROBERT B 2006-02-23 US claimed
EP-1569649-A2 USE OF HETEROCYCLIC AMINE-TYPE COMPOUNDS AS NEUROPROTECTIVE AGENTS Pharmacia & Upjohn Company LLC (US) 2005-09-07 EP claimed
US-6921771-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-07-26 US claimed
US-6903127-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US claimed
US-6890945-B2 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY (US) 2005-05-10 US claimed
US-20040266812-A1 (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione PHARMACIA & UPJOHN COMPANY 2004-12-30 US claimed
US-20040214826-A1 Method of treating sexual disturbances PHARMACIA & UPJOHN COMPANY 2004-10-28 US claimed
US-20040214825-A1 treating sexual disorders using (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione PHARMACIA & UPJOHN COMPANY 2004-10-28 US claimed
US-20040142937-A1 Use of heterocyclic amine-type compounds as neuroprotective agents PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
WO-2004037971-A2 USE OF HETEROCYCLIC AMINE-TYPE COMPOUNDS AS NEUROPROTECTIVE AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-06 WO claimed
US-20040029909-A1 (5R)-5-(methyamino)-5, 6-dihydro-4H-imidazo[4,5,1,-ij]quinoline-2(1H)-thione ACKER BRAD A (US) 2004-02-12 US claimed
US-20020137763-A1 (5R)-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione PHARMACIA & UPJOHN COMPANY 2002-09-26 US claimed
US-6455564-B1 ORAL ADMINISTRATION OF (5R)-(METHYLAMINO)-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLIN-2( '1H)-ONE OR -THIONE PHARMACIA & UPJOHN COMPANY 2002-09-24 US claimed
WO-2001083483-A1 (5R)-(METHYLAMINO)-5,6-DIHYDRO-4H-IMIDAZO[4,5,1-ij]QUINOLINE-2(1H)-THIONE PHARMACIA & UPJOHN COMPANY (US) 2001-11-08 WO claimed
EP-1140092-A2 METHOD OF TREATING SEXUAL DISTURBANCES PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP claimed
WO-2000040226-A2 METHOD OF TREATING SEXUAL DISTURBANCES PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed

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-20040214825-A1 treating sexual disorders using (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione SULT1A1, CYP19A1, SHBG HPGD 296/4885HSD17B10 533/4885ALDH1A1 136/4885
US-20070037815-A1 Novel pharmaceutical compounds PDE12, PDE5A, PDE3B HPGD 88/4885HSD17B10 262/4885ALDH1A1 1292/4885
US-20040214826-A1 Method of treating sexual disturbances CYP19A1, CYP17A1, CYP21A2 HPGD 378/4885HSD17B10 397/4885ALDH1A1 220/4885
US-20020137763-A1 (5R)-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione QDPR, UGT1A4, CYP3A5 HPGD 1353/4885HSD17B10 2026/4885ALDH1A1 188/4885
US-20040142937-A1 Use of heterocyclic amine-type compounds as neuroprotective agents NLN, GAP43, BDNF HPGD 280/4885HSD17B10 3595/4885ALDH1A1 521/4885
US-20040029909-A1 (5R)-5-(methyamino)-5, 6-dihydro-4H-imidazo[4,5,1,-ij]quinoline-2(1H)-thione CYP3A5, QDPR, SCN5A HPGD 997/4885HSD17B10 2324/4885ALDH1A1 340/4885
US-20060040929-A1 (5R)-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione and method of preparation thereof CYP3A5, UGT1A1, SULT1A1 HPGD 278/4885HSD17B10 1105/4885ALDH1A1 208/4885
US-20040266812-A1 (5R)-5-(methylamino)-5,6-dihydro-4H-imidazo[4,5,1-ij]quinoline-2(1H)-thione CYP3A5, UGT1A4, QDPR HPGD 1424/4885HSD17B10 2014/4885ALDH1A1 259/4885
US-20070191381-A1 Novel pharmaceutical compounds PDE12, PDE5A, PDE3B HPGD 88/4885HSD17B10 262/4885ALDH1A1 1292/4885

“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.