SCHEMBL6705872

SCHEMBL6705872

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.67
MCHR1 Q99705 6/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.55
CHRM1 P11229 3/20 0.54
CHRM2 P08172 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
CYP2D6 P10635 2/20 0.48
HTR2A P28223 2/20 0.48

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
SCHEMBL3868658 0.90 CHRM4 (0.66) CHRM4MCHR1MEN1KMT2ACHRM1
SCHEMBL6705916 0.89 CHRM4 (0.69) CHRM4MCHR1MEN1KMT2ACHRM1
SCHEMBL6705871 0.87 CHRM4 (0.53) CHRM4MCHR1CHRM1CHRM2CHRM5
SCHEMBL6705886 0.87 CHRM4 (0.55) CHRM4MCHR1CHRM1CHRM2CHRM5
SCHEMBL6221442 0.84 MCHR1 (0.55) CHRM4MCHR1CHRM1TSHRPOLB
SCHEMBL6705906 0.81 MCHR1 (0.52) CHRM4MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL18825718 0.80 CHRM4 (1.00) CHRM4CHRM1CHRM2CHRM5CHRM3
SCHEMBL6704534 0.80 L3MBTL3 (0.59) CHRM4MCHR1CHRM1CYP2D6HTR2A
SCHEMBL6704726 0.80 MAPT (0.56) CHRM4MCHR1CHRM1CYP2D6HTR2A
SCHEMBL6706014 0.79 CHRM4 (0.54) CHRM4MCHR1CHRM1CHRM2CHRM5

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 2 patents. 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 claimed
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 CHRM4 467/4885MCHR1 2/4885MEN1 995/4885

“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.