SCHEMBL1809730

SCHEMBL1809730

COc1ccc2[nH]c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.66
HRH4 Q9H3N8 1/20 0.65
AKR1C3 P42330 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
DRD3 P35462 1/20 0.58
FLT3 P36888 1/20 0.58
FPR2 P25090 2/20 0.57

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
SCHEMBL16598764 0.91 HRH3 (0.66) HRH3HRH4MEN1KMT2A
SCHEMBL1811549 0.88 KMT2A (0.60) HRH3HRH4MEN1KMT2ADRD3
SCHEMBL1808298 0.87 HRH4 (0.58) HRH3HRH4MEN1KMT2A
SCHEMBL17954172 0.87 KMT2A (0.65) HRH3HRH4AKR1C3MEN1KMT2A
SCHEMBL1810411 0.86 DRD3 (0.64) HRH3HRH4AKR1C3DRD3
SCHEMBL16599041 0.85 GPR183 (0.61) HRH3HRH4MEN1KMT2A
SCHEMBL16599280 0.85 HRH4 (0.63) HRH3HRH4MEN1KMT2A
SCHEMBL9410569 0.84 HRH4 (0.74) HRH3HRH4AKR1C3MEN1KMT2A
SCHEMBL17954171 0.83 KMT2A (0.57) HRH3HRH4AKR1C3MEN1KMT2A
SCHEMBL17938685 0.82 GPR183 (0.61) HRH3HRH4MEN1KMT2A

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 1010/4885HRH4 699/4885AKR1C3 1475/4885

“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.