SCHEMBL1808107

SCHEMBL1808107

COc1cccc(O)c1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.47
▸ MAPK7 Q13164 2/20 0.47
▸ MGLL Q99685 3/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL1807847 0.86 HSD11B1 (0.47) HSD11B1MAPK7MGLLMCHR1PDE4B
SCHEMBL1809202 0.81 GAA (0.58) MAPK7MCHR1PRKAA2GAACACNA1B
SCHEMBL1808659 0.80 KMT2A (0.49) MGLLMCHR1EPHX2CCR5GAA
SCHEMBL12100363 0.79 KMT2A (0.45) MCHR1PRKAA2GAACACNA1BMEN1
SCHEMBL1809113 0.78 SCN9A (0.47) HSD11B1MAPK7MGLLMCHR1ABHD6
SCHEMBL1810864 0.77 SMN1; SMN2 (0.53) HSD11B1MGLLEPHX2SCN9AMEN1
SCHEMBL1807277 0.77 HSD11B1 (0.51) HSD11B1MAPK7MGLLEPHX2PRKAA2
SCHEMBL1810904 0.77 PRKAA2 (0.45) HSD11B1MAPK7MGLLEPHX2PRKAA2
SCHEMBL1809060 0.77 CA12 (0.53) HSD11B1MGLLCYP2C9CACNA1B
SCHEMBL1809872 0.77 PRKAA2 (0.49) HSD11B1MAPK7MGLLMCHR1ABHD6

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 HSD11B1 2985/4885MAPK7 2820/4885MGLL 4513/4885

“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.

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