SCHEMBL1807243

SCHEMBL1807243

Cc1nc(C)c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
SIGLEC9 Q9Y336 1/20 0.49
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FPR2 P25090 3/20 0.44
PROKR1 Q8TCW9 3/20 0.44
EPHX2 P34913 2/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
MGLL Q99685 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
SCHEMBL1809711 0.82 FPR2 (0.47) FPR2PROKR1EPHX2KCNH2MCHR1
SCHEMBL1807447 0.80 TRPC3 (0.52) EPHX2KCNH2MCHR1HRH1CCR3
SCHEMBL1807491 0.80 KCNH2 (0.46) ALDH1A1KMT2AFPR2PROKR1EPHX2
SCHEMBL1810523 0.78 SIGLEC9 (0.46) ALDH1A1SIGLEC9MEN1KMT2AMGLL
SCHEMBL1809968 0.77 KCNH2 (0.48) ALDH1A1LMNAFPR2PROKR1EPHX2
SCHEMBL1806630 0.76 HRH3 (0.64) ALDH1A1MEN1KMT2AKCNH2MGLL
SCHEMBL1808244 0.76 KMT2A (0.53) KMT2AEPHX2KCNH2MCHR1HRH1
SCHEMBL1808218 0.76 MGLL (0.66) ALDH1A1LMNAMEN1KMT2AHRH1
SCHEMBL1809057 0.76 MGLL (0.73) ALDH1A1LMNAMEN1KMT2AMGLL
SCHEMBL1807816 0.75 HCRTR1 (0.47) LMNAMAPK1FPR2PROKR1EPHX2

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 787/4885LMNA 3683/4885MAPK1 1136/4885

“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.