SCHEMBL6787487

SCHEMBL6787487

CCc1ccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.40
KDM1A O60341 2/20 0.35
HTR6 P50406 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
HRH1 P35367 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6787480 1.00 EP300 (0.40) EP300KDM1AHTR6LMNATSHR
SCHEMBL6786365 0.86 KDM1A (0.36) EP300KDM1ALMNATSHRHRH1
SCHEMBL6786361 0.86 KDM1A (0.36) EP300KDM1ALMNATSHRHRH1
SCHEMBL6782320 0.84 HTR2C (0.40) KDM1ABRD4CREBBP
SCHEMBL6782315 0.84 HTR2C (0.40) KDM1ABRD4CREBBP
SCHEMBL6791319 0.84 HRH1 (0.42) HTR6LMNATSHRSLC6A2SLC6A4
SCHEMBL6791321 0.84 HRH1 (0.42) HTR6LMNATSHRSLC6A2SLC6A4
SCHEMBL6785604 0.83 HTR7 (0.40) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL6785602 0.83 HTR7 (0.40) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL6785970 0.82 BRD4 (0.43) EP300KDM1ALMNATSHRSLC6A2

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 EP300 3137/4885KDM1A 1930/4885HTR6 10/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 EP300 3137/4885KDM1A 1930/4885HTR6 10/4885

“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.