SCHEMBL985910

SCHEMBL985910

CC(=O)Nc1cccc(C(F)(F)F)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.57
ALDH1A1 P00352 7/20 0.50
HPGD P15428 2/20 0.50
DHODH Q02127 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ALOX12 P18054 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11067319 0.88 TAS2R14 (0.63) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL6475387 0.85 TAS2R14 (0.56) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL30136232 0.84 POLB (0.58) ALDH1A1HPGDCYP1A2KDM4EMEN1
SCHEMBL1395802 0.84 POLB (0.58) ALDH1A1HPGDCYP1A2KDM4EMEN1
SCHEMBL23167346 0.83 TAS2R14 (0.58) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL15761172 0.83 TAS2R14 (0.55) TAS2R14ALDH1A1DHODHHDAC6KDM4E
SCHEMBL30152395 0.83 TAS2R14 (0.58) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL9457765 0.83 TAS2R14 (0.55) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL30977681 0.83 TAS2R14 (0.55) TAS2R14ALDH1A1HPGDDHODHHDAC6
SCHEMBL5536288 0.83 ALDH1A1 (0.46) TAS2R14ALDH1A1HPGDRXFP1CYP1A2

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 46 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-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-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
US-12623942-B2 Method for extracting salts and temperature- regenerated extracting composition ADIONICS (FR) 2026-05-12 US disclosed
CN-113292128-B Apparatus and method for desalting water by thermal deionization and liquid phase ion extraction 艾迪奥尼克斯公司 2024-07-05 CN disclosed
US-20230382775-A1 METHOD FOR EXTRACTING SALTS AND TEMPERATURE-REGENERATED EXTRACTING COMPOSITION ADIONICS (FR) 2023-11-30 US disclosed
US-11772997-B2 Method for extracting salts and temperature-regenerated extracting composition ADIONICS (FR) 2023-10-03 US disclosed
US-11731933-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid ADIONICS (FR) 2023-08-22 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE 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 TAS2R14 717/4885ALDH1A1 610/4885HPGD 2106/4885
US-11731933-B2 Device and method for the desalination of water by means of thermal deionisation and liquid-phase ion extraction liquid AQP3, AQP1, AQP4 TAS2R14 710/4885ALDH1A1 3499/4885HPGD 988/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 TAS2R14 562/4885ALDH1A1 734/4885HPGD 2904/4885
US-12623942-B2 Method for extracting salts and temperature- regenerated extracting composition POLQ, NONO, AQP3 TAS2R14 823/4885ALDH1A1 3793/4885HPGD 2556/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E TAS2R14 717/4885ALDH1A1 610/4885HPGD 2106/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 TAS2R14 562/4885ALDH1A1 734/4885HPGD 2904/4885

“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.