SCHEMBL4501892

SCHEMBL4501892

N[C@@H](c1ccc(-c2ccc(C(=O)C(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
PDPK1 O15530 1/20 0.36
GSK3B P49841 1/20 0.35
ACHE P22303 2/20 0.35
TSSK1B Q9BXA7 1/20 0.34
SYK P43405 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
PRCP P42785 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32

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
SCHEMBL4502658 0.83 CES2 (0.46) CES2CES1PDPK1GSK3BACHE
SCHEMBL20768664 0.77 ANPEP (0.52) RXRARXRBRXRGCA12CA1
SCHEMBL4503752 0.74 SYK (0.39) SYK
SCHEMBL4492399 0.74 SYK (0.39) SYK
SCHEMBL4495091 0.73 EPHX1 (0.47) PRCP
SCHEMBL19331703 0.72 DPP4 (0.51) CA12CA1CA2CA9CA14
SCHEMBL5843823 0.72 CHRNB2 (0.47) SYKPRCPDPP4ALDH1A1HSD17B10
SCHEMBL4514361 0.72 CHRNB2 (0.47) SYKPRCPDPP4ALDH1A1HSD17B10
SCHEMBL21645315 0.71 CES2 (0.54) CES2CES1PDPK1GSK3BTSSK1B
SCHEMBL4488770 0.69 APP (0.45)

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH CES2 135/4885CES1 512/4885PDPK1 2328/4885

“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.