SCHEMBL1808438

SCHEMBL1808438

Cn1ccc2cccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
CCR3 P51677 2/20 0.46
KDM1A O60341 1/20 0.46
EPHX2 P34913 2/20 0.44
CHRNA7 P36544 2/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
MLNR O43193 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1808664 0.83 MGLL (0.47) HRH1CCR3KDM1AEPHX2CHRNA7
SCHEMBL1807299 0.78 HRH1 (0.48) HRH1CCR3EPHX2CHRNA7MGLL
SCHEMBL1807153 0.78 MGLL (0.51) HRH1CCR3EPHX2POLBMGLL
SCHEMBL1809266 0.78 MGLL (0.52) HRH1CCR3EPHX2POLBMGLL
SCHEMBL1810923 0.78 MGLL (0.52) HRH1CCR3EPHX2MGLLHRH3
SCHEMBL1808176 0.78 HRH1 (0.53) HRH1CCR3EPHX2MGLLCNR1
SCHEMBL1807921 0.77 CHRM2 (0.58) HRH1CCR3EPHX2POLBCNR1
SCHEMBL1809962 0.77 MGLL (0.64) HRH1CCR3EPHX2MGLLCNR1
SCHEMBL1807163 0.77 CHRNA7 (0.56) CHRNA7MGLLHRH3
SCHEMBL1807186 0.77 HRH3 (0.51) CHRNA7MGLLHRH3

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 9 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
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 HRH1 819/4885CCR3 2942/4885KDM1A 330/4885

“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.