SCHEMBL1809877

SCHEMBL1809877

NC(=O)c1ccccc1-c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.49
CYP3A4 P08684 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MGLL Q99685 7/20 0.49
PRSS12 P56730 1/20 0.49
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.46
CNR1 P21554 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
SRD5A1 P18405 1/20 0.45

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
SCHEMBL1808122 0.86 HRH3 (0.55) HRH3MGLLKMT2AHTTALDH1A1
SCHEMBL1805653 0.84 PARP10 (0.58) HRH3MGLLKMT2AHTTALDH1A1
SCHEMBL1805900 0.84 KMT2A (0.53) HRH3MGLLPRSS12KMT2AHTT
SCHEMBL1806630 0.83 HRH3 (0.64) HRH3MGLLKMT2AHTTALDH1A1
SCHEMBL1808901 0.82 MGLL (0.63) HRH3MGLLKMT2AHTTALDH1A1
SCHEMBL1808366 0.82 HRH3 (0.52) HRH3MGLLPRSS12KMT2AHTT
SCHEMBL1810363 0.81 MGLL (0.52) HRH3MGLLPRSS12KMT2AHTT
SCHEMBL12188726 0.81 MGLL (0.67) HRH3MGLLKMT2AHTTALDH1A1
SCHEMBL1805829 0.79 BCAT2 (0.48) HRH3MGLLPRSS12KMT2AHTT
SCHEMBL1811365 0.78 MGLL (0.65) HRH3MGLLKMT2AHTTALDH1A1

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 MLNR 1569/4885CYP3A4 1431/4885HRH3 1010/4885

“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.