SCHEMBL533802

SCHEMBL533802

CCC(=O)c1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 3/20 0.70
GAA P10253 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HPGD P15428 1/20 0.66
FFAR1 O14842 2/20 0.61
TYK2 P29597 1/20 0.59
MAPT P10636 3/20 0.56
THRB P10828 1/20 0.56
LMNA P02545 1/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA2A P29274 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL12092160 0.83 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5238426 0.83 HPGD (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5232976 0.82 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5237637 0.81 HPGD (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL11589293 0.81 FFAR1 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL9696775 0.81 CACNA1B (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL29519361 0.80 HPGD (0.79) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3684485 0.80 HPGD (0.79) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL21993 0.80 HPGD (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL12284610 0.80 FFAR1 (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261215-B1 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMA CO LTD (JP) 2014-12-31 EP disclosed
US-8501730-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8273735-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-06 US disclosed
EP-2251319-B1 Process for preparing derivatives of benzoic acid OTSUKA PHARMA CO LTD (JP) 2012-02-08 EP disclosed
EP-1919874-B1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
EP-2261215-A1 Process for preparing benzazepine compounds or salts thereof Otsuka Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2251319-A2 Process for preparing derivatives of benzoic acid Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-17 EP disclosed
US-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1919874-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2008-05-14 EP disclosed
WO-2007026971-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (2 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-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A RAB9A 1462/4885NPC1 2094/4885SMN1; SMN2 2293/4885
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A RAB9A 1462/4885NPC1 2094/4885SMN1; SMN2 2293/4885

“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.