SCHEMBL1808994

SCHEMBL1808994

O=C(c1cncc(OC2CCOCC2)c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 2/20 0.46
MCHR1 Q99705 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PHGDH O43175 1/20 0.45
GCK P35557 1/20 0.45
EPHX2 P34913 1/20 0.44
NAMPT P43490 1/20 0.44
MGLL Q99685 1/20 0.44
CYP11B2 P19099 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1806520 0.88 ALDH1A1 (0.60) ALDH1A1HTTHRH3KCNH2MCHR1
SCHEMBL1811303 0.87 MGLL (0.57) ALDH1A1HTTHRH3KCNH2MCHR1
SCHEMBL1809530 0.87 ALDH1A1 (0.50) ALDH1A1HTTHRH3KCNH2MCHR1
SCHEMBL1807027 0.86 PHGDH (0.61) ALDH1A1HTTHRH3KCNH2PHGDH
SCHEMBL1809258 0.84 ALDH1A1 (0.56) ALDH1A1HTTHRH3EPHX2NAMPT
SCHEMBL1807182 0.84 ALDH1A1 (0.56) ALDH1A1HTTHRH3KCNH2MCHR1
SCHEMBL1806574 0.84 HRH3 (0.53) ALDH1A1HTTHRH3KCNH2MCHR1
SCHEMBL1809941 0.84 L3MBTL4 (0.56) ALDH1A1HTTHRH3EPHX2NAMPT
SCHEMBL1806568 0.84 ALDH1A1 (0.55) ALDH1A1HTTHRH3EPHX2NAMPT
SCHEMBL12188786 0.83 ALDH1A1 (0.48) ALDH1A1HTTHRH3MGLL

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 ALDH1A1 787/4885HTT 956/4885HRH3 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.