SCHEMBL4440194

SCHEMBL4440194

CNC(=O)c1cc2[nH]c(=O)n(C3CCN(OC(=O)C(F)(F)F)CC3)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
KCNH2 Q12809 1/20 0.41
PLD2 O14939 11/20 0.40
PLD1 Q13393 11/20 0.40
HSD11B1 P28845 4/20 0.40
PGR P06401 2/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL4433004 0.84 SCN9A (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL4440191 0.82 PGR (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14008565 0.81 PLD2 (0.43) PLD2PLD1OPRM1
SCHEMBL14008495 0.81 USP2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4434580 0.80 PLD2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4435765 0.78 PLD2 (0.42) PLD2PLD1OPRM1
SCHEMBL5000728 0.78 OPRL1 (0.58) KCNH2PLD2PLD1OPRM1
SCHEMBL5006613 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4434535 0.77 PLD2 (0.45) KCNH2PLD2PLD1OPRM1
SCHEMBL5000769 0.77 OPRL1 (0.59) KCNH2PLD2PLD1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A CHRM2 3679/4885CHRM4 4343/4885CHRM5 3293/4885

“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.