SCHEMBL3961874

SCHEMBL3961874

CCO[C@@](CC)(Cc1ccc(OCC(=O)N(CC)Cc2ccccc2F)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
TRPM8 Q7Z2W7 13/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSPO P30536 1/20 0.42

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
SCHEMBL3963030 0.88 TRPM8 (0.64) TRPM8NPC1RAB9A
SCHEMBL3959704 0.82 TRPM8 (0.51) TRPM8NPC1RAB9A
SCHEMBL3963575 0.82 TRPM8 (0.58) TRPM8NPC1RAB9A
SCHEMBL3963642 0.82 TRPM8 (0.53) TP53MAPTTRPM8NPC1RAB9A
SCHEMBL3964680 0.81 TRPM8 (0.52) TP53MAPTTRPM8NPC1RAB9A
SCHEMBL3956940 0.81 MAPT (0.43) TP53MAPTTRPM8
SCHEMBL3993748 0.79 TP53 (0.55) TP53MAPTTRPM8NPC1RAB9A
SCHEMBL3963241 0.79 PPARA (0.46) TP53MAPTTRPM8
SCHEMBL3964923 0.79 PPARA (0.46) TP53MAPTTRPM8
SCHEMBL3965294 0.79 PPARA (0.46) TP53MAPTTRPM8

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-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP TP53 4725/4885MAPT 4345/4885TRPM8 4071/4885

“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.