SCHEMBL1807419

SCHEMBL1807419

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.45
HSD11B1 P28845 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKAA2 P54646 2/20 0.42
MGLL Q99685 2/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 3/20 0.41
EPHX2 P34913 2/20 0.41
CYP2J2 P51589 2/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SCN9A Q15858 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPK7 Q13164 1/20 0.40

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
SCHEMBL1809803 0.88 HSD11B1 (0.46) CACNA1BHSD11B1HTTTDP1PRKAA2
SCHEMBL12188758 0.87 TSHR (0.44) HTTTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL1813071 0.86 KMT2A (0.46) CACNA1BHSD11B1MGLLTSHRALDH1A1
SCHEMBL1810904 0.85 PRKAA2 (0.45) CACNA1BHSD11B1HTTTDP1PRKAA2
SCHEMBL1808574 0.84 FKBP1A (0.48) HSD11B1MGLLSMN1; SMN2MEN1MAPK1
SCHEMBL1808709 0.83 CACNA1B (0.46) CACNA1BHSD11B1HTTTDP1PRKAA2
SCHEMBL1807766 0.82 PRKAA2 (0.48) CACNA1BHSD11B1PRKAA2MGLLTSHR
SCHEMBL16784856 0.81 TSHR (0.44) CACNA1BHSD11B1HTTTDP1PRKAA2
SCHEMBL12099450 0.81 EPHX2 (0.44) CACNA1BHSD11B1PRKAA2MGLLTSHR
SCHEMBL1807159 0.81 PRKAA2 (0.45) CACNA1BHSD11B1PRKAA2MGLLTSHR

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 CACNA1B 17/4885HSD11B1 2985/4885HTT 956/4885

“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.