SCHEMBL1806136

SCHEMBL1806136

Cn1cc2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.49
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.45
PRSS12 P56730 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 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
SCHEMBL12188757 0.84 HRH3 (0.48) HRH3KMT2AMGLL
SCHEMBL1811264 0.81 HSD11B1 (0.50) HRH3KMT2AMGLL
SCHEMBL1806565 0.80 HPGD (0.56) HRH3KMT2AMGLLALDH1A1HTT
SCHEMBL1807732 0.80 HRH3 (0.49) HRH3KMT2AALDH1A1HTTLMNA
SCHEMBL1807115 0.80 HPGD (0.52) HRH3KMT2AMGLLALDH1A1
SCHEMBL1809885 0.80 FASN (0.49) HRH3KMT2AMGLL
SCHEMBL1806630 0.80 HRH3 (0.64) HRH3KMT2AMGLLALDH1A1HTT
SCHEMBL1807186 0.79 HRH3 (0.51) HRH3KMT2AMGLLPRSS12
SCHEMBL1809973 0.79 GRIA3 (0.57) HRH3KMT2AMGLLPRSS12ALDH1A1
SCHEMBL1808297 0.78 ALDH1A1 (0.56) HRH3PRSS12ALDH1A1HTT

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 HRH3 1010/4885KMT2A 1032/4885MGLL 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.