SCHEMBL6786916

SCHEMBL6786916

Clc1cc(Cl)cc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.37
CHRM3 P20309 7/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 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
SCHEMBL6786914 1.00 CHRM1 (0.37) CHRM1CHRM3LMNATSHRGABRA1
Hydrochloric Acid SCHEMBL6781502 0.90 CHRM1 (0.46) CHRM1CHRM3GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL6781498 0.90 CHRM1 (0.46) CHRM1CHRM3GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL6782042 0.87 CHRM1 (0.37) CHRM1CHRM3LMNATSHRGABRA1
Hydrochloric Acid SCHEMBL6789757 0.87 CHRM1 (0.37) CHRM1CHRM3LMNATSHRGABRA1
SCHEMBL6787100 0.85 CHRM1 (0.42) CHRM1CHRM3LMNATSHRCHRM2
SCHEMBL6787105 0.85 CHRM1 (0.42) CHRM1CHRM3LMNATSHRCHRM2
SCHEMBL6785282 0.84 CHRM3 (0.35) CHRM3LMNATSHRHTR1AHTR7
SCHEMBL6786256 0.84 BRD4 (0.41) CHRM1LMNATSHRGABRA1
SCHEMBL6785280 0.84 CHRM3 (0.35) CHRM3LMNATSHRHTR1AHTR7

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 91/4885CHRM3 294/4885LMNA 4136/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CHRM1 91/4885CHRM3 294/4885LMNA 4136/4885

“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.