SCHEMBL1807467

SCHEMBL1807467

N#Cc1ccccc1OC1CCN(C(=O)c2ccc3cccc(O)c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
PDE4D Q08499 1/20 0.43
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 1/20 0.42
RBP4 P02753 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MCHR1 Q99705 1/20 0.39
SCD O00767 1/20 0.39
GPR6 P46095 2/20 0.39
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL12188716 0.85 PIM1 (0.47) PDE4DPIM1PIM2RBP4KDM4E
SCHEMBL1808131 0.85 PDE4D (0.47) EPHX2PDE4DPIM1PIM2RBP4
SCHEMBL1808363 0.85 PDE4D (0.56) EPHX2PDE4DPIM1PIM2RBP4
SCHEMBL1805876 0.85 PDE4D (0.45) PDE4DPIM1PIM2RBP4KDM4E
SCHEMBL1808510 0.85 KMT2A (0.48) EPHX2PDE4DPIM1PIM2RBP4
SCHEMBL1810365 0.83 PRKAA2 (0.48)
SCHEMBL1809297 0.82 RBP4 (0.51) EPHX2RBP4SCD
SCHEMBL1810159 0.82 SCD5 (0.54) EPHX2PDE4DPIM1KDM4EKMT2A
SCHEMBL1809561 0.82 EPHX2 (0.47) EPHX2PIM1SCD5
SCHEMBL1807405 0.80 PIM1 (0.45) PDE4DPIM1KDM4EKMT2AGAA

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 EPHX2 2869/4885PDE4D 2111/4885PIM1 4238/4885

“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.