SCHEMBL1805558

SCHEMBL1805558

O=C(c1cccc2ccncc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.45
EPHX2 P34913 2/20 0.44
NAMPT P43490 4/20 0.44
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2J2 P51589 1/20 0.43
GPR6 P46095 1/20 0.43
SPR P35270 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL1808992 0.92 ALDH1A1 (0.49) ALDH1A1HTTLMNACHRM2EPHX2
SCHEMBL1810934 0.81 EIF4A3 (0.51) ALDH1A1HTTCHRM2EPHX2HRH1
SCHEMBL1807921 0.81 CHRM2 (0.58) ALDH1A1HTTCHRM2EPHX2HRH1
SCHEMBL1809288 0.81 ALDH1A1 (0.50) ALDH1A1HTTEPHX2NAMPTCYP2C9
SCHEMBL1809758 0.80 CHRM2 (0.58) ALDH1A1HTTCHRM2EPHX2HRH1
SCHEMBL12100024 0.79 EPHX2 (0.44) ALDH1A1HTTCHRM2EPHX2HRH1
SCHEMBL1808297 0.79 ALDH1A1 (0.56) ALDH1A1HTTEPHX2NAMPTCYP2C9
SCHEMBL1810106 0.79 CCR3 (0.51) ALDH1A1HTTCHRM2EPHX2CCR3
SCHEMBL1806216 0.78 ALDH1A1 (0.60) ALDH1A1HTTEPHX2CYP2C9CYP2J2
SCHEMBL1810791 0.78 MDM2 (0.59) ALDH1A1HTTGPR6

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 956/4885LMNA 3683/4885

“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.