SCHEMBL2885433

SCHEMBL2885433

CCON=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.63
KCNH2 Q12809 4/20 0.63
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.38
ADRA1A P35348 2/20 0.38
PIK3CA P42336 2/20 0.36
PRKAA2 P54646 2/20 0.36
PARP1 P09874 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 2/20 0.35
IKZF2 Q9UKS7 1/20 0.35
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL2885432 1.00 MCHR1 (0.63) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2882973 0.91 MCHR1 (0.53) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2882971 0.91 MCHR1 (0.53) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2880784 0.91 MCHR1 (0.56) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2880787 0.91 MCHR1 (0.56) MCHR1KCNH2ALDH1A1DRD2ADRA1A
Hydrochloric Acid SCHEMBL2882204 0.88 MCHR1 (0.59) MCHR1KCNH2ALDH1A1DRD2ADRA1A
Hydrochloric Acid SCHEMBL2882200 0.88 MCHR1 (0.59) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2883286 0.87 MCHR1 (0.59) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2883287 0.87 MCHR1 (0.59) MCHR1KCNH2ALDH1A1DRD2ADRA1A
SCHEMBL2881936 0.87 MCHR1 (0.59) MCHR1KCNH2ALDH1A1DRD2ADRA1A

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 565/4885ALDH1A1 1234/4885

“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.