SCHEMBL1810620

SCHEMBL1810620

O=C(c1cnc2ccccc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.52
DPP4 P27487 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 2/20 0.47
CAPN1 P07384 1/20 0.47
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.45
LMNA P02545 1/20 0.45
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 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
SCHEMBL1810610 0.86 LMNA (0.54) CCR3DPP4HRH3ALDH1A1HTT
SCHEMBL1809350 0.83 PTK2 (0.58) CCR3DPP4HRH3ALDH1A1HTT
SCHEMBL18318485 0.82 FASN (0.58) ALDH1A1HTTLMNAKCNH2MCHR1
SCHEMBL1809956 0.81 SCD5 (0.51) DPP4HRH3ALDH1A1HTTEPHX2
Hydrochloric Acid SCHEMBL28559154 0.81 FASN (0.57) ALDH1A1HTTLMNAKCNH2MCHR1
SCHEMBL1806520 0.81 ALDH1A1 (0.60) CCR3HRH3ALDH1A1HTTEPHX2
SCHEMBL1808901 0.80 MGLL (0.63) CCR3HRH3ALDH1A1HTTEPHX2
SCHEMBL1809258 0.80 ALDH1A1 (0.56) HRH3ALDH1A1HTTEPHX2LMNA
SCHEMBL1809955 0.80 CCR3 (0.52) CCR3DPP4CAPN1CNR1MEN1
SCHEMBL1806531 0.79 MAPK1 (0.55) HRH3ALDH1A1EPHX2CNR1

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 CCR3 2942/4885DPP4 1834/4885HRH3 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.