SCHEMBL3986067

SCHEMBL3986067

C[C@@H]1CN[C@@H](C)CN1CCCCl

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
MCHR1 Q99705 5/20 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
SCHEMBL3090051 0.83 SIGMAR1 (0.58) SIGMAR1CHRM2CHRM1
SCHEMBL29483945 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1
SCHEMBL3100817 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1
SCHEMBL4599654 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1
SCHEMBL8736360 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1MCHR1
SCHEMBL4599655 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1
SCHEMBL15080727 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1
SCHEMBL6488211 0.80 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1
SCHEMBL3106101 0.80 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1
SCHEMBL29483935 0.79 SIGMAR1 (0.54) SIGMAR1CHRM2CHRM1

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-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
EP-1807409-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS Pharmacopeia Drug Discovery, Inc. (US) 2007-07-18 EP disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 US disclosed
WO-2006044293-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-27 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 (1 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-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R SIGMAR1 155/4885CHRM2 152/4885CHRM1 131/4885

“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.