SCHEMBL1808394

SCHEMBL1808394

O=C(O)N1CCC(Sc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.48
NOTUM Q6P988 1/20 0.48
HSD11B1 P28845 1/20 0.47
RHEB Q15382 1/20 0.40
CACNA1B Q00975 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CHRM4 P08173 2/20 0.39
FAAH O00519 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPK7 Q13164 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
SCHEMBL1810911 0.86 GPR119 (0.50) MGLLNOTUMHSD11B1KMT2A
SCHEMBL1807495 0.85 EPHX2 (0.47) MGLLHSD11B1EPHX1EPHX2CYP2C9
SCHEMBL1498324 0.81 MGLL (0.46) MGLLNOTUMHSD11B1EPHX2KMT2A
SCHEMBL1808012 0.81 DDB1 (0.49) NOTUMFAAHKMT2A
SCHEMBL14637350 0.78 HSD11B1 (0.69) MGLLNOTUMHSD11B1CACNA1BKMT2A
SCHEMBL22490441 0.77 KMT2A (0.42) MGLLNOTUMHSD11B1KMT2ACYP2C9
SCHEMBL3125608 0.77 CARM1 (0.49) MGLLEPHX1KMT2A
SCHEMBL21623786 0.77 KMT2A (0.58) MGLLNOTUMHSD11B1FAAHEPHX2
SCHEMBL6180649 0.75 RAB9A (0.46) EPHX1KMT2A
SCHEMBL1808102 0.75 CACNA1B (0.48) MGLLNOTUMHSD11B1CACNA1BFFAR4

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 MGLL 4513/4885NOTUM 4164/4885HSD11B1 2985/4885

“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.