SCHEMBL1811909

SCHEMBL1811909

O=C(c1ccc(-c2cccc(CO)c2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 4/20 0.49
PRSS12 P56730 1/20 0.48
MEN1 O00255 3/20 0.48
ADRB2 P07550 4/20 0.48
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL1810363 0.84 MGLL (0.52) MGLLHRH3KMT2APRSS12MEN1
SCHEMBL1807401 0.83 MEN1 (0.62) MGLLHRH3KMT2APRSS12MEN1
SCHEMBL1806630 0.82 HRH3 (0.64) MGLLHRH3KMT2AMEN1ADRB2
SCHEMBL1809727 0.82 HRH1 (0.59) MGLLHRH3KMT2APRSS12
SCHEMBL1807640 0.82 HRH3 (0.49) MGLLHRH3KMT2APRSS12MEN1
SCHEMBL1811105 0.82 SCN9A (0.55) MGLLHRH3PRSS12ALDH1A1HTT
SCHEMBL1805900 0.81 KMT2A (0.53) MGLLHRH3LMNAKMT2APRSS12
SCHEMBL1808122 0.80 HRH3 (0.55) MGLLHRH3KMT2AMEN1ADRB2
SCHEMBL1807050 0.80 HRH3 (0.52) MGLLHRH3KMT2APRSS12
SCHEMBL1808838 0.79 KMT2A (0.56) MGLLHRH3KMT2AMEN1ADRB2

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 MGLL 4513/4885HRH3 1010/4885LMNA 3683/4885

“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.