SCHEMBL1808372

SCHEMBL1808372

COc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.55
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TRPC6 Q9Y210 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSD11B1 P28845 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49

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
SCHEMBL1810165 0.88 DRD3 (0.53) PRKAA2DRD3KCNH2HRH3TRPC6
SCHEMBL1808456 0.81 HRH3 (0.66) KCNH2HRH3
SCHEMBL12099681 0.81 RBP4 (0.48) PRKAA2DRD3HRH3TRPC6HSD11B1
SCHEMBL1809075 0.80 HRH3 (0.59) PRKAA2HRH3ALDH1A1LMNAHSD11B1
SCHEMBL518138 0.79 PRKAA2 (0.76) PRKAA2KCNH2ALDH1A1LMNAHSD11B1
SCHEMBL518137 0.79 PRKAA2 (0.76) PRKAA2KCNH2ALDH1A1LMNAHSD11B1
SCHEMBL1809378 0.78 HRH3 (0.54) PRKAA2KCNH2HRH3ALDH1A1PRKAB2
SCHEMBL15308923 0.78 PRKAA2 (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1809519 0.77 PTK2 (0.58) PRKAA2HRH3ALDH1A1
SCHEMBL1809345 0.77 ADRB2 (0.71) HRH3ALDH1A1LMNAHSD11B1SMN1; SMN2

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 PRKAA2 3288/4885DRD3 1700/4885KCNH2 42/4885

“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.