SCHEMBL1806221

SCHEMBL1806221

O=C(c1ccc(N2CCCCC2)nc1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HTT P42858 1/20 0.58
PRKAA2 P54646 2/20 0.55
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
ADRB2 P07550 1/20 0.48
GRM5 P41594 3/20 0.48
KCNH2 Q12809 1/20 0.48
ADRA1A P35348 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1806766 0.86 ALDH1A1 (0.53) ALDH1A1HTTHSD17B10KMT2AHRH3
SCHEMBL6821089 0.84 ALDH1A1 (0.58) ALDH1A1HTTPRKAA2HSD17B10KDM4E
SCHEMBL1807340 0.82 ALDH1A1 (0.54) ALDH1A1HTTPRKAA2KMT2AHRH3
SCHEMBL1812598 0.82 ALDH1A1 (0.56) ALDH1A1HTTPRKAA2KMT2AHRH3
SCHEMBL1806630 0.81 HRH3 (0.64) ALDH1A1HTTKMT2AHRH3ADRB2
SCHEMBL1809980 0.81 PRKAA2 (0.56) ALDH1A1HTTPRKAA2HRH3GRM5
SCHEMBL1806498 0.81 HRH3 (0.56) ALDH1A1HTTPRKAA2KMT2AHRH3
SCHEMBL1805345 0.80 KCNH2 (0.46) ALDH1A1HTTKMT2AHRH3ADRB2
SCHEMBL1811372 0.80 PRKAA2 (0.51) ALDH1A1HTTPRKAA2HRH3ADRB2
SCHEMBL1808354 0.80 ALDH1A1 (0.51) ALDH1A1HTTPRKAA2KMT2AHRH3

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 956/4885PRKAA2 3288/4885

“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.