SCHEMBL1808574

SCHEMBL1808574

O=C(COc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
HSD11B1 P28845 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PDK2 Q15119 1/20 0.41
PKM P14618 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL1813071 0.91 KMT2A (0.46) KMT2AMEN1MAPK1GAAHSD11B1
SCHEMBL12188692 0.88 NPSR1 (0.51) FKBP1ANPSR1KMT2AMEN1MAPK1
SCHEMBL1809803 0.87 HSD11B1 (0.46) KMT2AMEN1MAPK1KDM4EGAA
SCHEMBL1807419 0.84 CACNA1B (0.45) NPSR1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1810904 0.82 PRKAA2 (0.45) KMT2AMEN1MAPK1GAAHSD11B1
SCHEMBL12099450 0.80 EPHX2 (0.44) GAAHSD11B1MGLL
SCHEMBL1807766 0.79 PRKAA2 (0.48) KDM4EGAAHSD11B1MGLL
SCHEMBL1808091 0.79 MMP2 (0.57) NPSR1KMT2AMEN1HSD11B1PKM
SCHEMBL12188652 0.78 KMT2A (0.49) NPSR1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1808709 0.78 CACNA1B (0.46) SMN1; SMN2GAAHSD11B1MGLL

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 FKBP1A 1246/4885NPSR1 265/4885KMT2A 1032/4885

“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.