SCHEMBL6705751

SCHEMBL6705751

Cc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.65
CHRM1 P11229 4/20 0.65
HTR2A P28223 4/20 0.65
CYP2D6 P10635 3/20 0.65
HTR2C P28335 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3875743 0.87 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL1543277 0.86 MCHR1 (0.77) MCHR1CHRM1HTR2ACYP2D6HTR2C
SCHEMBL1543331 0.85 KDM4E (0.63) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL6224669 0.83 MCHR1 (0.71) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL6248254 0.79 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3868266 0.79 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6HDAC1
SCHEMBL3875301 0.79 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3879136 0.79 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3870667 0.78 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3877390 0.78 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6HTR2C

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 2/4885CHRM1 295/4885HTR2A 56/4885

“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.