SCHEMBL1808552

SCHEMBL1808552

O=C(c1cc(O)nc2ccccc12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
MGLL Q99685 8/20 0.47
HSD11B1 P28845 1/20 0.43
CYP2C9 P11712 1/20 0.42
HTR2B P41595 1/20 0.42
SCD5 Q86SK9 1/20 0.42
SCN9A Q15858 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPK7 Q13164 1/20 0.41
ABHD6 Q9BV23 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
SCHEMBL1812892 0.85 MGLL (0.47) TRPV1MGLLHSD11B1HTR2BSCD5
SCHEMBL1807862 0.82 HSD11B1 (0.45) MGLLHSD11B1CYP2C9HTR2BSCD5
SCHEMBL1810410 0.81 EPHX2 (0.48) TRPV1CYP2C9SCD5
SCHEMBL1807589 0.81 SCN9A (0.46) MGLLHSD11B1SCN9AMAPK7ABHD6
SCHEMBL1806474 0.80 HSD11B1 (0.47) MGLLHSD11B1SCD5SCN9AMAPK7
SCHEMBL1808027 0.79 HSD11B1 (0.45) MGLLHSD11B1HTR2BSCD5SCN9A
SCHEMBL1808114 0.79 HSD11B1 (0.48) MGLLHSD11B1SCN9AMAPK7ABHD6
SCHEMBL1810173 0.79 HSD11B1 (0.42) MGLLHSD11B1SCN9AMAPK7ABHD6
SCHEMBL1808089 0.78 HCRTR1 (0.45) MGLLHSD11B1CYP2C9SCN9AMAPK7
SCHEMBL1807847 0.78 HSD11B1 (0.47) MGLLHSD11B1CYP2C9SCN9AMCHR1

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 TRPV1 5/4885MGLL 4513/4885HSD11B1 2985/4885

“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.