SCHEMBL2882433

SCHEMBL2882433

OCC(O)c1cnc(C(=NOC2CC2)c2ccc(F)c(F)c2)nc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
HSD11B1 P28845 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL2883274 1.00 AR (0.32) ARCES2CES1KCNQ3KCNQ2
SCHEMBL2882432 1.00 AR (0.32) ARCES2CES1KCNQ3KCNQ2
SCHEMBL2884930 0.81 AR (0.36) ARCES2CES1KCNQ3KCNQ2
SCHEMBL2884932 0.81 AR (0.36) ARCES2CES1KCNQ3KCNQ2
SCHEMBL2882494 0.74 CES2 (0.43) CES2CES1KCNQ3KCNQ2
SCHEMBL2880794 0.70 MCHR1 (0.40) KCNH2MCHR1
SCHEMBL12975763 0.62 MCHR1 (0.47) CES2CES1KCNQ3KCNQ2KCNH2
SCHEMBL30255116 0.61 CES2 (0.47) CES2CES1
SCHEMBL27902046 0.61 CES2 (0.47) CES2CES1
SCHEMBL27899922 0.61 CES2 (0.47) CES2CES1

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 AR 47/4885CES2 2828/4885CES1 1529/4885

“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.