SCHEMBL2877882

SCHEMBL2877882

CO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cncc(NC(C)=O)c3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.45
KCNH2 Q12809 5/20 0.45
CCR5 P51681 4/20 0.44
ACHE P22303 2/20 0.43
GSK3B P49841 2/20 0.43
PRKAA2 P54646 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL2877885 1.00 MCHR1 (0.45) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2885380 1.00 MCHR1 (0.45) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2882985 0.92 MCHR1 (0.48) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2885379 0.92 MCHR1 (0.48) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2882986 0.92 MCHR1 (0.48) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2883011 0.91 MCHR1 (0.48) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2883015 0.91 MCHR1 (0.48) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2883058 0.91 MCHR1 (0.46) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2883055 0.91 MCHR1 (0.46) MCHR1KCNH2CCR5ACHEGSK3B
SCHEMBL2880249 0.89 MCHR1 (0.46) MCHR1KCNH2CCR5ACHEGSK3B

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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US claimed
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 565/4885CCR5 3055/4885

“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.