SCHEMBL1809894

SCHEMBL1809894

O=C(c1cc2ncccn2n1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
GFER P55789 1/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
KCNH2 Q12809 2/20 0.44
SCD5 Q86SK9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.43
EPHX2 P34913 2/20 0.43
MCHR1 Q99705 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL1808692 0.84 ALDH1A1 (0.54) HTR2AHTR2CKCNH2SCD5ALDH1A1
SCHEMBL1809331 0.80 RBP4 (0.60) KCNH2SCD5ALDH1A1HTTCNR1
SCHEMBL1809343 0.80 MEN1 (0.55) KCNH2HRH3ALDH1A1HTTCNR1
SCHEMBL1810516 0.78 PIK3CD (0.44) KCNH2SCD5HRH3ALDH1A1HTT
SCHEMBL1809201 0.78 KDM4E (0.53) HTR2AHTR2C
SCHEMBL1809378 0.76 HRH3 (0.54) KCNH2SCD5HRH3ALDH1A1HTT
SCHEMBL1809956 0.75 SCD5 (0.51) KCNH2SCD5HRH3ALDH1A1HTT
SCHEMBL1805820 0.75 EPHX2 (0.47) KCNH2SCD5HRH3EPHX2MCHR1
SCHEMBL1807305 0.75 KCNH2 (0.55) GFERKCNH2SCD5HRH3ALDH1A1
SCHEMBL1810907 0.75 HRH3 (0.48) KCNH2HRH3ALDH1A1HTTEPHX2

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 HTR2A 661/4885HTR2C 771/4885GFER 2160/4885

“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.