SCHEMBL5113768

SCHEMBL5113768

Cc1ccc(-c2ccc(F)cc2)c(NC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNMA1 Q12791 1/20 0.42
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NTRK1 P04629 1/20 0.38
QPCT Q16769 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM2 Q14416 1/20 0.38
FABP4 P15090 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CHRM3 P20309 6/20 0.37
RAB9A P51151 1/20 0.36
APOB P04114 1/20 0.36

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
SCHEMBL5103759 0.94 CHRM3 (0.41) KMT2ANPC1MEN1SMN1; SMN2KCNMA1
SCHEMBL5103245 0.93 HPGD (0.43) KMT2ANPC1MEN1SMN1; SMN2HPGD
SCHEMBL5112458 0.91 CHRM3 (0.41) NTRK1FABP4CHRM3
SCHEMBL5106700 0.90 CHRM3 (0.43) KCNMA1HPGDCHRM3
SCHEMBL5113235 0.86 CHRM3 (0.45) CHRM3
SCHEMBL5099986 0.86 HPGD (0.38) NPC1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL5106998 0.86 CHRM3 (0.45) CHRM3
SCHEMBL5113550 0.86 FABP4 (0.52) SMN1; SMN2KCNMA1LMNANTRK1FABP4
SCHEMBL5113237 0.85 FABP4 (0.41) KMT2ANPC1MEN1SMN1; SMN2KCNMA1
SCHEMBL5099275 0.85 IDH2 (0.41) KMT2AMEN1HPGDLMNAALDH1A1

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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US claimed
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 KMT2A 2510/4885NPC1 2708/4885MEN1 4053/4885

“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.