SCHEMBL6705897

SCHEMBL6705897

COc1cccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)c([N+](=O)[O-])c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 2/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.45
DRD4 P21917 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6704705 0.92 MCHR1 (0.57) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6223309 0.86 MCHR1 (0.47) MCHR1NPC1RAB9ACYP2D6KDM4E
SCHEMBL6706824 0.86 MCHR1 (0.56) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6705801 0.86 MCHR1 (0.60) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6706763 0.85 MCHR1 (0.72) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6705951 0.84 MCHR1 (0.66) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6708072 0.84 MCHR1 (0.60) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6706726 0.84 MCHR1 (0.71) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6704702 0.81 MCHR1 (0.57) MCHR1NPC1RAB9ACYP2D6CHRM1
SCHEMBL6706057 0.81 MCHR1 (0.59) MCHR1NPC1RAB9ACYP2D6CHRM1

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 2/4885NPC1 2495/4885RAB9A 2725/4885

“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.