SCHEMBL6787066

SCHEMBL6787066

Fc1ccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.45
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
CHRM3 P20309 6/20 0.41
CHRM2 P08172 2/20 0.41
PLAT P00750 1/20 0.39
REN P00797 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL6787063 1.00 CHRM1 (0.45) CHRM1BRD4CREBBPCHRM3CHRM2
SCHEMBL6785254 0.89 CREBBP (0.42) CHRM1BRD4CREBBPCHRM3REN
SCHEMBL6787100 0.89 CHRM1 (0.42) CHRM1BRD4CREBBPCHRM3CHRM2
SCHEMBL6785250 0.89 CREBBP (0.42) CHRM1BRD4CREBBPCHRM3REN
SCHEMBL6787105 0.89 CHRM1 (0.42) CHRM1BRD4CREBBPCHRM3CHRM2
SCHEMBL6785169 0.86 CREBBP (0.36) CHRM1BRD4CREBBPRENCYP3A4
SCHEMBL7195591 0.86 CREBBP (0.36) CHRM1BRD4CREBBPRENCYP3A4
Hydrochloric Acid SCHEMBL6781498 0.84 CHRM1 (0.46) CHRM1CHRM3CHRM2PLAT
Hydrochloric Acid SCHEMBL6781502 0.84 CHRM1 (0.46) CHRM1CHRM3CHRM2PLAT
SCHEMBL6786914 0.84 CHRM1 (0.37) CHRM1CHRM3CHRM2

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 CHRM1 91/4885BRD4 1644/4885CREBBP 3464/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CHRM1 91/4885BRD4 1644/4885CREBBP 3464/4885

“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.