SCHEMBL104492

SCHEMBL104492

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 1/20 0.59
FADS1 O60427 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CA2 P00918 1/20 0.56
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
RAB9A P51151 1/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
TSHR P16473 1/20 0.54
NAPRT Q6XQN6 1/20 0.53

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
SCHEMBL13986211 0.90 NQO2 (0.55) ALDH1A1HSD17B10CYP1A2FADS1MEN1
SCHEMBL27289297 0.89 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2FADS1MEN1
SCHEMBL24074780 0.86 MTNR1A (0.54) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL4362389 0.86 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2FADS1MEN1
SCHEMBL23046942 0.86 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL2096086 0.85 FADS1 (0.59) ALDH1A1FADS1MEN1KMT2ACA2
SCHEMBL2096083 0.85 FADS1 (0.59) ALDH1A1FADS1MEN1KMT2ACA2
Hydrochloric Acid SCHEMBL32690592 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2FADS1MEN1
SCHEMBL4854892 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL6483033 0.84 FADS1 (0.57) ALDH1A1FADS1MEN1KMT2ACA2

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 210 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
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE 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
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 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 ALDH1A1 610/4885HSD17B10 3460/4885CYP1A2 274/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO ALDH1A1 184/4885HSD17B10 208/4885CYP1A2 514/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ALDH1A1 734/4885HSD17B10 3533/4885CYP1A2 289/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS ALDH1A1 1238/4885HSD17B10 527/4885CYP1A2 2469/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HSD17B10 2107/4885CYP1A2 3570/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ALDH1A1 610/4885HSD17B10 3460/4885CYP1A2 274/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ALDH1A1 734/4885HSD17B10 3533/4885CYP1A2 289/4885

“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.