SCHEMBL3963575

SCHEMBL3963575

CCO[C@@](CC)(Cc1ccc(OCC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 15/20 0.58
PSMB5 P28074 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL3963788 0.96 TRPM8 (0.52) TRPM8PSMB5RAB9A
SCHEMBL3965747 0.91 TRPM8 (0.48) TRPM8PSMB5
SCHEMBL3964680 0.91 TRPM8 (0.52) TRPM8NPC1RAB9A
SCHEMBL3964009 0.91 TRPM8 (0.47) TRPM8PSMB5
SCHEMBL3959704 0.90 TRPM8 (0.51) TRPM8NPC1RAB9A
SCHEMBL3963030 0.90 TRPM8 (0.64) TRPM8NPC1RAB9A
SCHEMBL3963642 0.88 TRPM8 (0.53) TRPM8NPC1RAB9A
SCHEMBL3961377 0.83 TP53 (0.49) TRPM8
SCHEMBL3960808 0.82 MEN1 (0.48) TRPM8RAB9A
SCHEMBL3961874 0.82 TP53 (0.50) TRPM8NPC1RAB9A

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 4 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-7462644-B2 Therapeutic agents ASTRAZENECA AB (SE) 2008-12-09 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 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 (2 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA TRPM8 4238/4885PSMB5 4207/4885NPC1 15/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP TRPM8 4071/4885PSMB5 2126/4885NPC1 14/4885

“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.