SCHEMBL6704754

SCHEMBL6704754

O=C(NCCc1ccc(CN2CCCC2)cc1)N1CCC2(CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.52
CYP2D6 P10635 3/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPK1 P28482 2/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
MLLT1 Q03111 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6251998 0.82 MCHR1 (0.49) MCHR1CYP2D6CHRM1HTR2AMAPK1
SCHEMBL6705864 0.81 CHRM4 (0.66) MCHR1CYP2D6CHRM1HTR2AMEN1
SCHEMBL6705906 0.81 MCHR1 (0.52) MCHR1CYP2D6CHRM1HTR2AMEN1
SCHEMBL6704534 0.80 L3MBTL3 (0.59) MCHR1CYP2D6CHRM1HTR2AMBTD1
SCHEMBL6704726 0.80 MAPT (0.56) MCHR1CYP2D6CHRM1HTR2AHRH3
SCHEMBL6705907 0.79 PRMT5 (0.52) MCHR1CYP2D6CHRM1HTR2AMEN1
SCHEMBL6705783 0.79 CHRM4 (0.70) MCHR1CYP2D6CHRM1HTR2AMEN1
SCHEMBL6705890 0.78 NAMPT (0.60) MCHR1CYP2D6CHRM1HTR2AALDH1A1
SCHEMBL6708200 0.77 OPRL1 (0.58) MCHR1CYP2D6CHRM1HTR2AHRH3
SCHEMBL6704588 0.76 CHRM4 (0.62) MCHR1CYP2D6CHRM1HTR2AMEN1

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 2/4885CYP2D6 1590/4885CHRM1 295/4885

“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.