SCHEMBL6792227

SCHEMBL6792227

CCOc1cccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
BRD2 P25440 1/20 0.36
FYN P06241 1/20 0.36
CHRM3 P20309 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
NOTUM Q6P988 1/20 0.34
HTR6 P50406 2/20 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
SCHEMBL6792225 1.00 HTR2C (0.46) HTR2CHTR2AKDM4EGAAMAPT
SCHEMBL6782315 0.89 HTR2C (0.40) HTR2CHTR2AKDM4EGAAMAPT
SCHEMBL6782320 0.89 HTR2C (0.40) HTR2CHTR2AKDM4EGAAMAPT
SCHEMBL6791237 0.87 CYP2C19 (0.45) HTR2CKDM4ETDP1CYP2C19FYN
SCHEMBL6791230 0.87 CYP2C19 (0.45) HTR2CKDM4ETDP1CYP2C19FYN
SCHEMBL6791101 0.82 PLAT (0.44)
SCHEMBL6791107 0.82 PLAT (0.44)
SCHEMBL6790499 0.81 HTR2C (0.41) HTR2CCHRM3CHRM1
SCHEMBL6790502 0.81 HTR2C (0.41) HTR2CCHRM3CHRM1
SCHEMBL6897975 0.81 HTR2C (0.47) HTR2CHTR2ACCNT1CDK9

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 4 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
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US 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 HTR2C 6/4885HTR2A 9/4885KDM4E 927/4885
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.