SCHEMBL6704534

SCHEMBL6704534

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.59
L3MBTL1 Q9Y468 10/20 0.59
MBTD1 Q05BQ5 4/20 0.59
CHRM4 P08173 1/20 0.53
MCHR1 Q99705 3/20 0.51
CYP2D6 P10635 2/20 0.49
CHRM1 P11229 1/20 0.49
HTR2A P28223 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53BP1 Q12888 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
DPP7 Q9UHL4 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
SCHEMBL6705906 0.87 MCHR1 (0.52) L3MBTL3L3MBTL1MBTD1CHRM4MCHR1
SCHEMBL6704726 0.86 MAPT (0.56) CHRM4MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6705916 0.81 CHRM4 (0.69) CHRM4MCHR1CHRM1DPP7
SCHEMBL6704792 0.81 MEN1 (0.61) CHRM4
SCHEMBL3868658 0.81 CHRM4 (0.66) CHRM4MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6705872 0.80 CHRM4 (0.67) CHRM4MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6705886 0.80 CHRM4 (0.55) CHRM4MCHR1CYP2D6CHRM1HTR2A
SCHEMBL6704754 0.80 MCHR1 (0.52) L3MBTL3L3MBTL1MBTD1MCHR1CYP2D6
SCHEMBL6705907 0.78 PRMT5 (0.52) MCHR1CYP2D6CHRM1HTR2ACYP3A4
SCHEMBL6706014 0.78 CHRM4 (0.54) CHRM4MCHR1CYP2D6CHRM1HTR2A

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 L3MBTL3 3780/4885L3MBTL1 3619/4885MBTD1 647/4885

“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.