SCHEMBL6473592

SCHEMBL6473592

c1ccc(-c2ccc3[nH]c4c(c3c2)CCNCC4)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
SIRT2 Q8IXJ6 2/20 0.61
KDM4E B2RXH2 1/20 0.50
HTR5A P47898 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
NR2E1 Q9Y466 1/20 0.50
HTR7 P34969 2/20 0.49
HTR6 P50406 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Hydrochloric Acid SCHEMBL31117509 0.88 SIRT2 (0.74) HTR2AHTR2CSIRT2KDM4EHTR5A
SCHEMBL6474308 0.88 HTR2A (0.64) HTR2AHTR2CSIRT2KDM4EHTR5A
SCHEMBL7462713 0.84 MAPT (0.55) SIRT2KDM4ELMNAHSD17B10KMT2A
Hydrochloric Acid SCHEMBL6474417 0.82 LMNA (0.64) HTR2AHTR2CSIRT2KDM4ENISCH
SCHEMBL6782548 0.81 HTR2A (0.55) HTR2AHTR2CSIRT2KDM4EHTR5A
Hydrochloric Acid SCHEMBL6483021 0.80 HTR2A (0.54) HTR2AHTR2CSIRT2KDM4EHTR5A
Formic Acid SCHEMBL6474901 0.79 SIRT2 (0.46) HTR2AHTR2CSIRT2KDM4EHTR5A
SCHEMBL3045846 0.79 HTR2A (1.00) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL29736160 0.79 HTR2A (1.00) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL12868082 0.78 SIRT2 (0.57) SIRT2KDM4EHTR5ANISCHNR2E1

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 12 patents. 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 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
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 disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 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 (4 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 HTR2A 11/4885HTR2C 5/4885SIRT2 3880/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885SIRT2 4019/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2A 11/4885HTR2C 5/4885SIRT2 3880/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885SIRT2 4019/4885

“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.