SCHEMBL6708200

SCHEMBL6708200

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.58
CHRM4 P08173 2/20 0.57
OPRM1 P35372 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
PRKAB2 O43741 2/20 0.48
PRKAG1 P54619 2/20 0.48
PRKAA2 P54646 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG3 Q9UGI9 2/20 0.48
PRKAG2 Q9UGJ0 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
FAAH O00519 1/20 0.47
MCHR1 Q99705 3/20 0.47
CYP2D6 P10635 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL6705864 0.88 CHRM4 (0.66) OPRL1CHRM4CHRM1MCHR1CYP2D6
SCHEMBL6222386 0.85 OPRL1 (0.58) OPRL1CHRM4OPRM1KDM4EALDH1A1
SCHEMBL6704754 0.77 MCHR1 (0.52) KDM4EALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3877227 0.76 MCHR1 (0.79) CHRM4KDM4EALDH1A1CHRM1MCHR1
SCHEMBL6705783 0.73 CHRM4 (0.70) OPRL1CHRM4OPRM1KDM4EALDH1A1
SCHEMBL4778246 0.73 OPRL1 (0.78) OPRL1OPRM1
SCHEMBL4808830 0.73 OPRL1 (0.55) OPRL1CHRM4OPRM1S1PR2
SCHEMBL29432121 0.72 CHRM4 (1.00) OPRL1CHRM4CHRM2CHRM1CHRM5
SCHEMBL6705907 0.72 PRMT5 (0.52) KDM4EALDH1A1CHRM1MCHR1CYP2D6
Hydrochloric Acid SCHEMBL8892803 0.71 CHRM4 (0.51) OPRL1CHRM4OPRM1CHRM2CHRM1

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 OPRL1 39/4885CHRM4 467/4885OPRM1 49/4885

“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.