SCHEMBL5113550

SCHEMBL5113550

O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.52
FABP5 Q01469 2/20 0.50
KCNMA1 Q12791 1/20 0.41
CHRM3 P20309 4/20 0.41
IDH2 P48735 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIK1 P39086 1/20 0.39
P2RX1 P51575 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 1/20 0.37
SHMT1 P34896 1/20 0.37

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
SCHEMBL5112458 0.90 CHRM3 (0.41) FABP4FABP5CHRM3IDH2CHRM2
SCHEMBL5113237 0.89 FABP4 (0.41) FABP4FABP5KCNMA1IDH2LMNA
SCHEMBL5100423 0.88 CHRM3 (0.44) FABP4FABP5CHRM3IDH2CHRM2
SCHEMBL5103316 0.87 CHRM3 (0.43) FABP4FABP5CHRM3IDH2CHRM2
SCHEMBL5113768 0.86 KMT2A (0.42) FABP4KCNMA1CHRM3LMNASMN1; SMN2
SCHEMBL5103918 0.86 FABP4 (0.39) FABP4FABP5CHRM3IDH2LMNA
SCHEMBL3912448 0.84 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL5112043 0.84 CHRM3 (0.48) CHRM3IDH2CHRM2CHRM1
SCHEMBL5103759 0.82 CHRM3 (0.41) KCNMA1CHRM3IDH2CHRM2CHRM1
SCHEMBL5099368 0.82 CNR1 (0.43) FABP4FABP5CHRM3IDH2LMNA

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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 FABP4 4255/4885FABP5 1382/4885KCNMA1 381/4885

“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.