SCHEMBL1806552

SCHEMBL1806552

O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.75
HSD11B1 P28845 1/20 0.61
EPHX2 P34913 1/20 0.54
CACNA1B Q00975 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
CNR1 P21554 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
MAPK7 Q13164 1/20 0.49

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
SCHEMBL1812101 0.88 MGLL (0.74) MGLLHSD11B1EPHX2MEN1KMT2A
SCHEMBL1809338 0.85 MGLL (0.73) MGLLHSD11B1MEN1KMT2AHRH1
SCHEMBL1809445 0.84 MGLL (0.67) MGLLHSD11B1GAAHRH1CCR3
SCHEMBL2219252 0.83 HSD11B1 (0.56) MGLLHSD11B1CACNA1BMEN1KMT2A
SCHEMBL2219256 0.83 HSD11B1 (0.56) MGLLHSD11B1CACNA1BMEN1KMT2A
SCHEMBL1808762 0.83 HRH1 (0.70) MGLLEPHX2MEN1KMT2AHRH1
SCHEMBL12188732 0.83 MGLL (0.69) MGLLMEN1KMT2AHRH1CCR3
SCHEMBL1806882 0.83 MGLL (0.67) MGLLMEN1KMT2AHRH1CCR3
SCHEMBL1809263 0.83 HSD11B1 (0.58) MGLLHSD11B1CACNA1BMEN1KMT2A
SCHEMBL1808245 0.82 RHOA (0.57) MGLLEPHX2HRH1CCR3

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

“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.