SCHEMBL6475014

SCHEMBL6475014

CC1(C)CCCc2c(OCCn3c4c(c5c(Cl)cc(Cl)cc53)CCNCC4)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
XBP1 P17861 1/20 0.33
MCHR1 Q99705 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL6529572 0.90 HTT (0.33) HRH3HTTCYP3A4POLBHSD17B10
SCHEMBL6473365 0.88 CYP3A4 (0.36) HRH3HTTCYP3A4MCHR1POLB
SCHEMBL6482884 0.87 MCHR1 (0.33) HRH3HTTCYP3A4XBP1MCHR1
SCHEMBL6482963 0.87 HTT (0.33) HRH3HTTPOLBHSD17B10NPC1
SCHEMBL6484572 0.84 HRH3 (0.43) HRH3CYP3A4XBP1
Hydrochloric Acid SCHEMBL6475751 0.83 KDM4E (0.45) HRH3HSD17B10NPC1RAB9AHTR2C
SCHEMBL6483009 0.82 HTT (0.34) HRH3HTTMCHR1POLBHSD17B10
SCHEMBL6474661 0.76 RHEB (0.41) CYP3A4
SCHEMBL6475434 0.76 KDM4E (0.48) HTTCYP3A4POLBNPC1LMNA
SCHEMBL6788060 0.76 CYP3A4 (0.45) HRH3CYP3A4XBP1MCHR1HTR2C

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 10 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
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

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 HRH3 303/4885HTT 566/4885CYP3A4 286/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HRH3 260/4885HTT 430/4885CYP3A4 268/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HRH3 303/4885HTT 566/4885CYP3A4 286/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HRH3 260/4885HTT 430/4885CYP3A4 268/4885

“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.