SCHEMBL12975697

SCHEMBL12975697

CC(=O)Nc1cc(C2CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.50
KCNH2 Q12809 5/20 0.49
ACHE P22303 2/20 0.47
GSK3B P49841 1/20 0.47
DRD2 P14416 2/20 0.46
ADRA1A P35348 2/20 0.46
CCR5 P51681 2/20 0.45
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL2882795 0.85 MCHR1 (0.44) MCHR1KCNH2ACHEGSK3BDRD2
SCHEMBL2882793 0.85 MCHR1 (0.44) MCHR1KCNH2ACHEGSK3BDRD2
SCHEMBL12975700 0.81 MCHR1 (0.51) MCHR1KCNH2ACHEGSK3BDRD2
SCHEMBL2883696 0.76 MCHR1 (0.52) MCHR1KCNH2ACHEGSK3BDRD2
SCHEMBL2880435 0.75 PRKAA2 (0.44) MCHR1DRD2ADRA1ACCR5
SCHEMBL12975704 0.74 MCHR1 (0.49) MCHR1KCNH2DRD2ADRA1A
SCHEMBL12975694 0.74 ACHE (0.51) MCHR1KCNH2ACHEDRD2ADRA1A
SCHEMBL12975707 0.74 MCHR1 (0.44) MCHR1KCNH2ACHEGSK3BDRD2
SCHEMBL13664941 0.74 MCHR1 (0.79) MCHR1KCNH2ACHEGSK3B
SCHEMBL19706633 0.73 BRAF (0.59)

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 disclosed
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 565/4885ACHE 3375/4885

“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.