SCHEMBL405878

SCHEMBL405878

CC(=O)Nc1ccc(C)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL22583742 0.86 HDAC1 (0.49) HDAC1HDAC6SMN1; SMN2KMT2AMAPT
SCHEMBL10034515 0.85 LMNA (0.56) HDAC1HDAC6CA1CA2CA9
SCHEMBL7759457 0.83 KIF11 (0.57) HDAC1HDAC6CA1CA2CA9
SCHEMBL6483614 0.83 HDAC1 (0.46) HDAC1HDAC6CA1CA2CA9
SCHEMBL20560330 0.83 HDAC1 (0.46) HDAC1HDAC6CA1CA2CA9
SCHEMBL12407083 0.83 HPGD (0.70) HDAC1HDAC6SMN1; SMN2GAAKMT2A
SCHEMBL6694651 0.82 SMN1; SMN2 (0.67) HDAC1HDAC6CA1CA2CA9
SCHEMBL30148008 0.82 SMN1; SMN2 (0.67) HDAC1HDAC6CA1CA2CA9
Hydrochloric Acid SCHEMBL30595906 0.81 KIF11 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL11436787 0.81 SMN1; SMN2 (0.50) HDAC1HDAC6SMN1; SMN2GAAKMT2A

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 92 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 EP disclosed
CN-119371343-A Preparation method of substituted trifluoro ethylsulfide aniline 海利尔药业集团股份有限公司 2025-01-28 CN disclosed
CN-114605297-B Aryl sulfide containing substituted benzylamine structure, composition and application thereof 海利尔药业集团股份有限公司 2024-01-02 CN 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
US-4766243-A Electrophilic fluorination of aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1988-08-23 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 (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 HDAC1 2029/4885HDAC6 2272/4885CA1 3486/4885
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 HDAC1 201/4885HDAC6 530/4885CA1 4427/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885CA1 4349/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HDAC1 2029/4885HDAC6 2272/4885CA1 3486/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885CA1 4349/4885

“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.