SCHEMBL1806237

SCHEMBL1806237

O=C(c1cccc(N2CCCC2=O)c1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
HSD11B1 P28845 1/20 0.51
MGLL Q99685 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
CACNA1B Q00975 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL12188697 0.87 ALDH1A1 (0.54) ALDH1A1TSHRMGLLCYP1A2CYP3A4
SCHEMBL1809077 0.85 HSD11B1 (0.53) HSD11B1MGLLKMT2AMEN1GAA
SCHEMBL1809263 0.82 HSD11B1 (0.58) HSD11B1MGLLKMT2AMEN1GAA
SCHEMBL7607793 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL12099710 0.78 HSD11B1 (0.58) HSD11B1MGLLKMT2AMEN1RAB9A
SCHEMBL1810008 0.78 SCN9A (0.60) HSD11B1MGLLKMT2AMEN1GAA
SCHEMBL1809573 0.78 HSD11B1 (0.53) HSD11B1MGLLKMT2AMEN1GAA
SCHEMBL1808768 0.77 HSD11B1 (0.56) HSD11B1MGLLCYP3A4CYP2D6CYP2C9
SCHEMBL1807988 0.77 CACNA1B (0.56) HSD11B1MGLLKMT2AMEN1GAA
SCHEMBL1811148 0.77 HRH1 (0.62) HSD11B1MGLLCYP3A4KMT2AMEN1

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 9 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
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 ALDH1A1 787/4885TSHR 911/4885HSD11B1 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.