SCHEMBL6785378

SCHEMBL6785378

CCCCCOc1ccccc1-c1cccc2c1[C@@H]1CCNCC[C@@H]1N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PDE5A O76074 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CNR2 P34972 5/20 0.36
FAAH O00519 2/20 0.35
IKBKB O14920 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6785373 1.00 HTR2A (0.38) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6786701 0.99 PDE5A (0.38) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6786699 0.99 PDE5A (0.38) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL7159824 0.97 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6784495 0.97 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL7156816 0.97 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6785145 0.97 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6785147 0.97 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL6781199 0.93 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B
SCHEMBL7519152 0.93 HTR2C (0.39) HTR2AHTR2CPDE5APDE4APDE4B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US 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 (2 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885PDE5A 414/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885PDE5A 414/4885

“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.