SCHEMBL1003318

SCHEMBL1003318

[CH2]C(=O)Nc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
PKM P14618 1/20 0.65
LMNA P02545 3/20 0.62
HIF1A Q16665 1/20 0.62
NAMPT P43490 3/20 0.61
TP53 P04637 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CDK2 P24941 1/20 0.56
FLT4 P35916 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL29128725 0.85 RAB9A (0.59) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL9637653 0.83 MEN1 (0.77) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30051982 0.83 MEN1 (0.77) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30504811 0.83 RAB9A (0.89) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL11213715 0.82 RAB9A (0.72) RAB9ANPC1PKMLMNAHIF1A
Bromide SCHEMBL29417998 0.82 MEN1 (0.74) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL967245 0.82 RAB9A (0.72) RAB9ANPC1PKMLMNAHIF1A
Hydrochloric Acid SCHEMBL29388210 0.82 MEN1 (0.74) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL6062650 0.82 RAB9A (0.67) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL6877095 0.80 RAB9A (0.65) RAB9ANPC1PKMLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP claimed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US claimed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP claimed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 WO claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-6794383-B2 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 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 (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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E RAB9A 698/4885NPC1 1345/4885PKM 3637/4885
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 RAB9A 2389/4885NPC1 1383/4885PKM 965/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE RAB9A 512/4885NPC1 37/4885PKM 4622/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 RAB9A 1674/4885NPC1 761/4885PKM 1071/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 RAB9A 751/4885NPC1 1176/4885PKM 3291/4885

“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.