SCHEMBL2883287

SCHEMBL2883287

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccccc3)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.59
KCNH2 Q12809 4/20 0.59
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TRPV6 Q9H1D0 3/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ADRA1A P35348 1/20 0.39
CCR5 P51681 1/20 0.37
HRH2 P25021 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2883286 1.00 MCHR1 (0.59) MCHR1KCNH2KMT2AMEN1TRPV6
SCHEMBL2883697 0.92 MCHR1 (0.58) MCHR1KCNH2KMT2AALDH1A1CCR5
SCHEMBL2883703 0.92 MCHR1 (0.58) MCHR1KCNH2KMT2AALDH1A1CCR5
SCHEMBL2881936 0.91 MCHR1 (0.59) MCHR1KCNH2KMT2AALDH1A1DRD2
SCHEMBL2881933 0.91 MCHR1 (0.59) MCHR1KCNH2KMT2AALDH1A1DRD2
SCHEMBL2881950 0.89 MCHR1 (0.57) MCHR1KCNH2KMT2AALDH1A1DRD2
SCHEMBL2881948 0.89 MCHR1 (0.57) MCHR1KCNH2KMT2AALDH1A1DRD2
SCHEMBL2885172 0.88 MCHR1 (0.56) MCHR1KCNH2TRPV6ALDH1A1CCR5
SCHEMBL2885174 0.88 MCHR1 (0.56) MCHR1KCNH2TRPV6ALDH1A1CCR5
SCHEMBL2883960 0.88 MCHR1 (0.55) MCHR1KCNH2KMT2AALDH1A1DRD2

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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MCHR1 2/4885KCNH2 565/4885KMT2A 443/4885

“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.