SCHEMBL1807914

SCHEMBL1807914

CC(=O)c1cccc(OC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 1/20 0.47
SLC5A7 Q9GZV3 1/20 0.47
EPHX2 P34913 2/20 0.47
GAA P10253 1/20 0.47
HRH1 P35367 2/20 0.46
CCR3 P51677 2/20 0.46

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
SCHEMBL27900111 0.86 OPRK1 (0.68) OPRK1KMT2AMEN1
SCHEMBL3972087 0.85 OPRK1 (0.52) OPRK1KMT2AMEN1RAB9AEPHX2
SCHEMBL5799392 0.83 KAT6A (0.54) OPRK1KMT2AMEN1RAB9AEPHX2
SCHEMBL3967321 0.83 KAT6A (0.51) OPRK1KMT2AMEN1RAB9AEPHX2
SCHEMBL3292130 0.82 OPRK1 (0.49) OPRK1KMT2AMEN1EPHX2HRH1
SCHEMBL19610260 0.82 CHRM3 (0.53) OPRK1KMT2AMEN1EPHX2
SCHEMBL5271411 0.81 EPHX2 (0.59) EPHX2HRH1
SCHEMBL2932615 0.81 EPHX2 (0.63) OPRK1EPHX2HRH1CCR3
SCHEMBL15637209 0.81 SLC6A2 (0.50) OPRK1KMT2AMEN1EPHX2GAA
SCHEMBL3605088 0.80 EPHX2 (0.59) EPHX2HRH1CCR3

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 3 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 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 OPRK1 157/4885KMT2A 1032/4885MEN1 4046/4885

“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.