SCHEMBL1811549

SCHEMBL1811549

COc1cc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)[nH]c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
HRH3 Q9Y5N1 6/20 0.56
RXFP1 Q9HBX9 1/20 0.53
ABCB1 P08183 1/20 0.52
RAB9A P51151 2/20 0.51
ATM Q13315 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL1809730 0.88 HRH3 (0.66) KMT2AMEN1HRH3DRD3HRH4
SCHEMBL16598764 0.86 HRH3 (0.66) KMT2AMEN1HRH3RAB9AATM
SCHEMBL1810411 0.83 DRD3 (0.64) HRH3DRD2DRD3HRH4
SCHEMBL1808298 0.82 HRH4 (0.58) KMT2AMEN1HRH3RAB9AATM
SCHEMBL17954172 0.82 KMT2A (0.65) KMT2AMEN1HRH3RAB9AATM
SCHEMBL1807840 0.82 HRH3 (0.54) KMT2AMEN1HRH3RAB9ADRD2
SCHEMBL16599041 0.80 GPR183 (0.61) KMT2AMEN1HRH3RAB9AATM
SCHEMBL16599280 0.80 HRH4 (0.63) KMT2AMEN1HRH3RXFP1RAB9A
SCHEMBL1806591 0.79 KDM4E (0.60) KMT2AMEN1HRH3
SCHEMBL1810713 0.78 AHR (0.52) KMT2AMEN1HRH3DRD2DRD3

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 KMT2A 1032/4885MEN1 4046/4885HRH3 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.