SCHEMBL6704575

SCHEMBL6704575

CN1CCC(c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.62
CHRM1 P11229 4/20 0.62
HTR2A P28223 4/20 0.62
CYP2D6 P10635 3/20 0.62
KDM4E B2RXH2 1/20 0.53
HDAC1 Q13547 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP25 Q9UHP3 2/20 0.52
HDAC6 Q9UBN7 2/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL6251152 0.90 MCHR1 (0.68) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL6705913 0.87 MCHR1 (0.62) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL23269704 0.81 LSS (0.57) KDM4E
SCHEMBL28757059 0.80 USP25 (0.47) MCHR1CHRM1HTR2ACYP2D6HDAC1
SCHEMBL7703379 0.79 HDAC6 (0.64) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL6704283 0.79 MCHR1 (0.70) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL6705549 0.79 MCHR1 (0.73) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL6250405 0.79 MCHR1 (0.73) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3870582 0.78 MCHR1 (0.69) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3875743 0.78 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6KDM4E

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.