SCHEMBL1807495

SCHEMBL1807495

O=C(O)N1CCC(Sc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.47
HSD11B1 P28845 1/20 0.45
MGLL Q99685 2/20 0.44
EPHX1 P07099 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1808394 0.85 MGLL (0.48) EPHX2HSD11B1MGLLEPHX1CYP2C9
SCHEMBL1805596 0.85 GPR119 (0.59) EPHX2GPR119
SCHEMBL4777118 0.82 GAA (0.49) EPHX2HSD11B1MGLLPOLB
SCHEMBL4097076 0.80 CCR5 (0.42) HSD11B1MGLL
SCHEMBL6097817 0.79 EPHX2 (0.56) EPHX2HSD11B1MGLLEPHX1CYP2C9
SCHEMBL4771588 0.78 KMT2A (0.41) EPHX2MGLLCYP2C9CYP2C19
SCHEMBL3125608 0.78 CARM1 (0.49) MGLLEPHX1
SCHEMBL1866719 0.77 KMT2A (0.41) MGLLEPHX1
SCHEMBL16013886 0.77 KMT2A (0.41) EPHX2HSD11B1MGLLCYP2C9CYP2C19
SCHEMBL5273038 0.77 MAPT (0.45) HSD11B1MGLLCYP2C9CYP2C19

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B EPHX2 2869/4885HSD11B1 2985/4885MGLL 4513/4885

“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.