SCHEMBL417145

SCHEMBL417145

CN(C(=O)c1ccc(OCC2CC2)cn1)[C@@H]1Cc2ccc(Br)cc2C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.69
HTR2C P28335 3/20 0.44
KCNH2 Q12809 3/20 0.44

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
SCHEMBL421737 1.00 MCHR1 (0.69) MCHR1HTR2CKCNH2
SCHEMBL355016 0.93 MCHR1 (0.61) MCHR1HTR2CKCNH2
SCHEMBL355017 0.93 MCHR1 (0.61) MCHR1HTR2CKCNH2
SCHEMBL419783 0.87 MCHR1 (0.68) MCHR1HTR2CKCNH2
SCHEMBL419782 0.87 MCHR1 (0.68) MCHR1HTR2CKCNH2
SCHEMBL10083378 0.82 MCHR1 (0.89) MCHR1HTR2CKCNH2
SCHEMBL10083365 0.82 MCHR1 (1.00) MCHR1
SCHEMBL10083376 0.82 MCHR1 (1.00) MCHR1
SCHEMBL419081 0.82 MCHR1 (0.71) MCHR1HTR2CKCNH2
SCHEMBL419080 0.82 MCHR1 (0.71) MCHR1HTR2CKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552199-B2 Substituted indanes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2013-10-08 US disclosed
US-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-26 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 (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-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS MCHR1, MCHR2, IDO1 MCHR1 1/4885HTR2C 342/4885KCNH2 717/4885

“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.