SCHEMBL1689404

SCHEMBL1689404

CC(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
P2RX1 P51575 1/20 0.55
KCNJ6 P48051 1/20 0.55
KCNJ5 P48544 1/20 0.55
KCNJ3 P48549 1/20 0.55
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
RAB9A P51151 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
NQO2 P16083 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
RAF1 P04049 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL12305792 0.90 NQO2 (0.59) HDAC3HDAC8HDAC6ALDH1A1HSD17B10
SCHEMBL2633385 0.87 ALDH1A1 (0.58) HDAC3HDAC8HDAC6ALDH1A1HSD17B10
SCHEMBL32675964 0.87 RAF1 (0.65) HDAC3HDAC8HDAC6ALDH1A1P2RX1
SCHEMBL30695893 0.85 HDAC8 (0.62) HDAC3HDAC8HDAC6P2RX1KCNJ6
SCHEMBL2093456 0.85 HDAC8 (0.62) HDAC3HDAC8HDAC6ALDH1A1P2RX1
SCHEMBL2093458 0.85 HDAC8 (0.62) HDAC3HDAC8HDAC6P2RX1KCNJ6
SCHEMBL505220 0.84 RXFP1 (0.69) ALDH1A1L3MBTL1RAB9ASMN1; SMN2RXFP1
SCHEMBL903574 0.84 HDAC8 (0.60) HDAC3HDAC8HDAC6ALDH1A1P2RX1
SCHEMBL30022965 0.84 RXFP1 (0.69) ALDH1A1L3MBTL1RAB9ASMN1; SMN2RXFP1
SCHEMBL6483594 0.84 HDAC8 (0.60) HDAC3HDAC8HDAC6ALDH1A1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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
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-12006337-B2 Mitogen-activated protein kinase inhibitors, methods of making, and methods of use thereof WASHINGTON UNIVERSITY (US) 2024-06-11 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US 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 (7 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 HDAC3 2942/4885HDAC8 3275/4885HDAC6 2272/4885
US-12006337-B2 Mitogen-activated protein kinase inhibitors, methods of making, and methods of use thereof MAPK13, MAPK12, MAP3K13 HDAC3 1850/4885HDAC8 740/4885HDAC6 1208/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HDAC3 3028/4885HDAC8 3499/4885HDAC6 2415/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR HDAC3 143/4885HDAC8 735/4885HDAC6 1312/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HDAC3 2942/4885HDAC8 3275/4885HDAC6 2272/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS HDAC3 1346/4885HDAC8 1199/4885HDAC6 1192/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HDAC3 3028/4885HDAC8 3499/4885HDAC6 2415/4885

“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.