SCHEMBL1808692

SCHEMBL1808692

O=C(c1cc2ccccn2n1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.49
SCD5 Q86SK9 1/20 0.49
KCNH2 Q12809 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 2/20 0.47
CNR1 P21554 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL1809894 0.84 HTR2A (0.48) ALDH1A1HTTSCD5KCNH2HTR2A
SCHEMBL1809331 0.78 RBP4 (0.60) ALDH1A1KDM4EHTTL3MBTL1SCD5
SCHEMBL1809956 0.78 SCD5 (0.51) ALDH1A1HTTSCD5KCNH2EPHX2
SCHEMBL1807305 0.78 KCNH2 (0.55) ALDH1A1KDM4ESCD5KCNH2EPHX2
SCHEMBL1806377 0.77 RBP4 (0.54) NPC1RAB9ASCD5KCNH2HTR2A
SCHEMBL1808901 0.76 MGLL (0.63) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL1809549 0.76 KCNH2 (0.53) SCD5KCNH2EPHX2CNR1MCHR1
SCHEMBL1811687 0.76 KCNH2 (0.48) ALDH1A1HTTSCD5KCNH2EPHX2
SCHEMBL17868769 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10NPC1
SCHEMBL1806531 0.76 MAPK1 (0.55) ALDH1A1TSHRRAB9ASCD5MAPK1

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 787/4885KDM4E 1141/4885TSHR 911/4885

“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.