SCHEMBL1810231

SCHEMBL1810231

O=C(c1nccc2ccccc12)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.46
CNR1 P21554 2/20 0.46
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
PRKAA2 P54646 1/20 0.42
MLNR O43193 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
SCD5 Q86SK9 1/20 0.42

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
SCHEMBL1810106 0.89 CCR3 (0.51) CCR3CNR1CHRM2ALDH1A1HTT
SCHEMBL1810931 0.80 CHRM2 (0.58) CCR3CNR1ADRB2CHRM2ALDH1A1
SCHEMBL1812054 0.78 ALDH1A1 (0.48) CNR1ADRB2CHRM2ALDH1A1HTT
SCHEMBL3087647 0.78 HRH3 (0.61) CCR3CHRM2
SCHEMBL1808676 0.77 RBP4 (0.57) CNR1ADRB2MLNRCYP3A4KCNH2
SCHEMBL1808078 0.76 HTR2A (0.61) CCR3ADRB2CHRM2ALDH1A1HTT
SCHEMBL1808863 0.76 HRH3 (0.54) ADRB2ALDH1A1PRKAA2SCD5
SCHEMBL1806957 0.75 ALDH1A1 (0.47) CNR1CHRM2ALDH1A1HTT
SCHEMBL2631019 0.75 PDE10A (0.50)
SCHEMBL2630736 0.75

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 CCR3 2942/4885CNR1 149/4885ADRB2 199/4885

“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.