SCHEMBL6704716

SCHEMBL6704716

Nc1cc(-c2ccc(Cl)cc2)ccc1C(=O)NCCc1ccc(CN2CCC(Oc3ccccn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.52
NPC1 O15118 2/20 0.49
CHRM4 P08173 3/20 0.49
CHRM1 P11229 2/20 0.47
HTR2A P28223 2/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 2/20 0.44
CXCR3 P49682 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL6708084 0.88 NPC1 (0.50) MCHR1NPC1CHRM4CHRM1HTR2A
SCHEMBL6229736 0.88 NPC1 (0.45) MCHR1NPC1CHRM4CHRM1HTR2A
SCHEMBL6705917 0.86 MCHR1 (0.54) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6705815 0.82 MCHR1 (0.58) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6705717 0.80 MCHR1 (0.77) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6705915 0.79 MCHR1 (0.76) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6224533 0.79 FAAH (0.45) MCHR1NPC1CHRM4CHRM1HTR2A
SCHEMBL6708049 0.78 MCHR1 (0.60) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6704221 0.76 MCHR1 (0.58) MCHR1CHRM4CHRM1HTR2ACYP2D6
SCHEMBL6706691 0.75 MCHR1 (0.63) MCHR1CHRM4CHRM1HTR2ACYP2D6

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 2495/4885CHRM4 467/4885

“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.