SCHEMBL6038551

SCHEMBL6038551

C=CCn1c2c(c3ccccc31)CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
HTR2A P28223 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTR6 P50406 9/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HTR3A P46098 1/20 0.44
GAA P10253 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 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
SCHEMBL6422780 0.90 HDAC1 (0.52) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL9903966 0.84 CA1 (0.65) HTR2CHTR2AKDM4EMAPK1HSD17B10
SCHEMBL3242063 0.78 HTR2A (0.61) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6038295 0.78 CA1 (0.66) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL7454059 0.77 KDM4E (0.67) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6474408 0.77 KDM4E (0.62) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6474168 0.77 KDM4E (0.62) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL10650585 0.77 KMT2A (0.37) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL2187576 0.76 HDAC1 (0.55) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6484333 0.75 KDM4E (0.71) HTR2CHTR2AKDM4EALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030109-B2 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY (US) 2006-04-18 US disclosed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
EP-1351961-B1 SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-07-27 EP disclosed
US-6921823-B2 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY LLC (US) 2005-07-26 US disclosed
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 disclosed
EP-1196417-B1 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION UPJOHN CO (US) 2005-04-20 EP disclosed
US-6878823-B2 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY (US) 2005-04-12 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position JACOBSEN ERIC JON (US) 2004-12-09 US disclosed
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 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
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 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-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles PHARMACIA & UPJOHN COMPANY 2002-02-21 US disclosed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP disclosed
WO-2002004456-A1 SUBSTITUTED 2,3,7,8,9,10,11,12-OCTAHYDROAZEPINO[4,5-b]PYRANO[3,2-e]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
WO-2002004457-A1 AZEPINO[4,5-B]PYRANO[3,2-E]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 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 (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 HTR2C 5/4885HTR2A 11/4885KDM4E 1122/4885
US-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 HTR2C 22/4885HTR2A 34/4885KDM4E 1036/4885
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR2C 21/4885HTR2A 44/4885KDM4E 1239/4885
US-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles NPY5R, HTR3C, HTR5A HTR2C 74/4885HTR2A 175/4885KDM4E 451/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885KDM4E 927/4885

“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.