SCHEMBL5744225

SCHEMBL5744225

Cc1ccccc1C(=O)C(C)Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ELANE P08246 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 1/20 0.40
PLAU P00749 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL28629683 0.85 SLC6A2 (0.49) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL22756377 0.84 NPC1 (0.44) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL585832 0.83 HPGD (0.47) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL4109765 0.82 CYP1A2 (0.48) HPGDMYC
SCHEMBL14297428 0.81 HPGD (0.46) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL1685076 0.81 HPGD (0.46) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL2233660 0.80 HPGD (0.48) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL3235570 0.79 KDM4E (0.50) NPC1RAB9AHPGDHTTSMN1; SMN2
SCHEMBL8391903 0.79 HPGD (0.44) NPC1RAB9AHPGDSLC6A2SLC6A4
SCHEMBL11771242 0.79 ALDH1A1 (0.47) NPC1RAB9AHPGDELANESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
US-6770636-B2 CENTRAL NERVOUS SYSTEM DISORDERS THERAPY BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-03 US disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 US disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
EP-0891339-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
US-5859035-A Arylheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-01-12 US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1997036881-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
US-4690931-A IN TREATMENT OF ANOXIA OR BRAIN DAMAGE SYNTHELABO (FR) 1987-09-01 US 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 (1 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-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines AOC2, CYC1, CYCS NPC1 166/4885RAB9A 3456/4885HPGD 1601/4885

“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.