SCHEMBL3293441

SCHEMBL3293441

CN1C(=O)C(N)N=C(N2CCCCCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
CCKBR P32239 9/20 0.53
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL8883876 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883468 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3289711 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883874 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883843 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3287608 0.87 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883253 0.87 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9124178 0.87 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7595107 0.85 RAB9A (0.49) CCKBRALDH1A1NPC1MAPTRAB9A
SCHEMBL8882750 0.84 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 US disclosed
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 US disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-7053084-B1 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US disclosed
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-02-02 US disclosed
WO-2002099388-A2 BENZODIAZEPINE BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2002-12-12 WO disclosed
EP-0730455-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 1998-02-04 EP disclosed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US disclosed
EP-0730455-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5438055-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-01 US disclosed
WO-1995014473-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 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 (5 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 GABRP 14/4885GABRD 12/4885GABRA1 8/4885
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production BACE1, APP, APH1B GABRP 47/4885GABRD 65/4885GABRA1 135/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE GABRP 8/4885GABRD 16/4885GABRA1 4/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE GABRP 6/4885GABRD 15/4885GABRA1 8/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE GABRP 6/4885GABRD 15/4885GABRA1 8/4885

“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.