SCHEMBL5111796

SCHEMBL5111796

COc1ccc(-c2cccc(Cl)c2)c(NC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CHRM3 P20309 7/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FADS1 O60427 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
IDH2 P48735 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5107029 0.88 CHRM3 (0.41) CHRM3MEN1KMT2AIDH2ATM
SCHEMBL5112043 0.85 CHRM3 (0.48) CHRM3MEN1KMT2ARAB9AIDH2
Trifluoroacetic Acid SCHEMBL5111784 0.84 AKR1C3 (0.46) AKR1C3AKR1C2MEN1KMT2AHPGD
SCHEMBL5099368 0.83 CNR1 (0.43) CHRM3MEN1KMT2ALMNAIDH2
SCHEMBL5106874 0.81 CHRM3 (0.46) CHRM3
SCHEMBL5103316 0.81 CHRM3 (0.43) CHRM3MEN1KMT2ARAB9AIDH2
SCHEMBL3900027 0.79 CHRM3 (0.57) CHRM3
SCHEMBL5099275 0.78 IDH2 (0.41) AKR1C3AKR1C2CHRM3MEN1KMT2A
SCHEMBL5106661 0.76 S1PR4 (0.44) CHRM3LMNANPC1RAB9A
SCHEMBL3901051 0.76 CHRM1 (0.40) CHRM3NPC1RAB9AALDH1A1

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 AKR1C3 1908/4885AKR1C2 2538/4885CHRM3 1/4885

“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.