SCHEMBL1809256

SCHEMBL1809256

COc1ccccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.68
HTT P42858 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK14 Q16539 1/20 0.56
TSHR P16473 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
LMNA P02545 1/20 0.54
HSD11B1 P28845 1/20 0.54
KDM4E B2RXH2 3/20 0.53
EPHX2 P34913 1/20 0.51
PDE4B Q07343 1/20 0.51
ALDH1A1 P00352 2/20 0.50
DRD3 P35462 1/20 0.50
HRH1 P35367 1/20 0.50
CCR3 P51677 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL1810265 0.90 MGLL (0.55) MGLLHTTCYP2C9CYP2C19MAPK14
SCHEMBL1809962 0.84 MGLL (0.64) MGLLEPHX2HRH1CCR3
SCHEMBL1810442 0.83 MGLL (0.48) MGLLHTTCYP2C9KDM4EEPHX2
SCHEMBL1808659 0.83 KMT2A (0.49) MGLLKMT2AMEN1EPHX2GAA
SCHEMBL1809057 0.80 MGLL (0.73) MGLLKMT2AMEN1LMNAHSD11B1
SCHEMBL1809266 0.80 MGLL (0.52) MGLLHTTKMT2ANPC1KDM4E
SCHEMBL1807153 0.80 MGLL (0.51) MGLLEPHX2HRH1CCR3POLB
SCHEMBL1806591 0.80 KDM4E (0.60) MGLLCYP2C19KMT2AMEN1LMNA
SCHEMBL1808791 0.80 MGLL (0.53) MGLLKMT2AMEN1LMNAHSD11B1
SCHEMBL1809393 0.80 MGLL (0.50) MGLLTSHRNPC1EPHX2

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 MGLL 4513/4885HTT 956/4885CYP2C9 924/4885

“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.