SCHEMBL6705871

SCHEMBL6705871

CN(C)Cc1ccc(C2CCN(C(=O)NCCc3ccc(CN4CCCC4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.53
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
CCR1 P32246 1/20 0.45
LSS P48449 2/20 0.45
MCHR1 Q99705 6/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 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
SCHEMBL3868658 0.88 CHRM4 (0.66) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6705872 0.87 CHRM4 (0.67) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6705916 0.87 CHRM4 (0.69) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6226177 0.86 LSS (0.46) CHRM4CHRM1HRH3CCR1LSS
SCHEMBL6705886 0.85 CHRM4 (0.55) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6706014 0.79 CHRM4 (0.54) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6705906 0.79 MCHR1 (0.52) CHRM4CHRM1HRH3MCHR1TPSAB1
SCHEMBL6704534 0.78 L3MBTL3 (0.59) CHRM4CHRM1MCHR1TPSAB1TPSD1
SCHEMBL6704726 0.78 MAPT (0.56) CHRM4CHRM1HRH3MCHR1CYP2D6
SCHEMBL6705899 0.77 CHRM4 (0.72) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R CHRM4 467/4885CHRM1 295/4885CHRM2 263/4885

“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.