SCHEMBL1809963

SCHEMBL1809963

Cc1ncccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ FPR2 P25090 3/20 0.47
▸ PROKR1 Q8TCW9 3/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ HRH1 P35367 2/20 0.46
▸ CCR3 P51677 2/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ CHRM2 P08172 1/20 0.45

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
SCHEMBL1808423 0.85 POLB (0.65) POLBCYP2C19ALDH1A1
SCHEMBL1807921 0.84 CHRM2 (0.58) POLBCYP2C19ALDH1A1HTTEPHX2
SCHEMBL1810699 0.84 CNR1 (0.48) POLBALDH1A1HTTFPR2PROKR1
SCHEMBL1809758 0.84 CHRM2 (0.58) POLBALDH1A1HTTEPHX2HRH1
SCHEMBL1807153 0.83 MGLL (0.51) POLBEPHX2HRH1CCR3MGLL
SCHEMBL1809257 0.83 POLB (0.65) POLBEPHX2HRH1CCR3TDP1
SCHEMBL1806222 0.81 POLB (0.46) POLBCYP2C19ALDH1A1HTTEPHX2
SCHEMBL1809266 0.81 MGLL (0.52) POLBALDH1A1HTTEPHX2HRH1
SCHEMBL1810862 0.81 CNR1 (0.49) POLBALDH1A1HTTEPHX2
SCHEMBL1806855 0.80 EPHX2 (0.46) POLBCYP2C19ALDH1A1HTTEPHX2

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 POLB 4291/4885CYP2C19 1498/4885ALDH1A1 787/4885

“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.

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