SCHEMBL2608447

SCHEMBL2608447

CC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.63
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
KMT2A Q03164 6/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 4/20 0.61
MAPK1 P28482 3/20 0.61
POLB P06746 2/20 0.61
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
LMNA P02545 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58

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
SCHEMBL20788543 0.87 NPC1 (0.77) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3790984 0.86 NPC1 (0.66) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6239068 0.84 L3MBTL1 (0.56) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL77451 0.84 ATAD2 (0.61) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6475970 0.84 ATAD2 (0.61) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL77031 0.83 ATAD2 (0.57) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL11222516 0.83 NPC1 (0.62) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL16607196 0.83 SMN1; SMN2 (0.70) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL77851 0.81 FFAR2 (0.62) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL77497 0.81 NPC1 (0.65) ATAD2NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US 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
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (6 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 ATAD2 3451/4885NPC1 1345/4885RAB9A 698/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ATAD2 2735/4885NPC1 70/4885RAB9A 3191/4885
US-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 ATAD2 1534/4885NPC1 377/4885RAB9A 3215/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ATAD2 3045/4885NPC1 1176/4885RAB9A 751/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ATAD2 3451/4885NPC1 1345/4885RAB9A 698/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ATAD2 3045/4885NPC1 1176/4885RAB9A 751/4885

“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.