SCHEMBL6705708

SCHEMBL6705708

COc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.61
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 2/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHKA P35790 1/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6706824 0.92 MCHR1 (0.56) MCHR1KDM4ECYP2D6CHRM1HTR2A
SCHEMBL6704743 0.89 MCHR1 (0.64) MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6705813 0.89 MCHR1 (0.64) MCHR1CYP2D6CHRM1HTR2AALDH1A1
SCHEMBL3874070 0.88 MCHR1 (0.78) MCHR1KDM4ECYP2D6CHRM1HTR2A
SCHEMBL6705717 0.88 MCHR1 (0.77) MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6705915 0.87 MCHR1 (0.76) MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6706819 0.87 MCHR1 (0.71) MCHR1CYP2D6CHRM1HTR2APOLB
SCHEMBL6704705 0.85 MCHR1 (0.57) MCHR1KDM4ECYP2D6CHRM1HTR2A
SCHEMBL6706848 0.85 MCHR1 (0.64) MCHR1CYP2D6CHRM1HTR2ASMN1; SMN2
SCHEMBL6224373 0.85 KDM4E (0.49) MCHR1KDM4ECYP2D6CHRM1HTR2A

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 MCHR1 2/4885KDM4E 492/4885CYP2D6 1590/4885

“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.