SCHEMBL347845

SCHEMBL347845

O=C(Nc1ccc(C(=O)N2CCN(Cc3nc(C(=O)OC(=O)C(F)(F)F)co3)CC2)cc1)NC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.46
CACNA1G O43497 2/20 0.40
EPHX1 P07099 1/20 0.40
KCNH2 Q12809 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 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
SCHEMBL347914 0.89 EPHX2 (0.48) EPHX2CACNA1GEPHX1KCNH2
Trifluoroacetic Acid SCHEMBL347844 0.88 EPHX2 (0.44) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
Trifluoroacetic Acid SCHEMBL348092 0.87 PRKAA2 (0.43) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL346655 0.86 PRKAA2 (0.46) EPHX2EPHX1PRKAB2PRKAG1PRKAA2
Trifluoroacetic Acid SCHEMBL346884 0.84 EPHX2 (0.41) EPHX2CACNA1GKCNH2PRKAB2PRKAG1
SCHEMBL10077357 0.83 KMT2A (0.41) EPHX2EPHX1PRKAB2PRKAG1PRKAA2
SCHEMBL1839277 0.82 KMT2A (0.45) EPHX2EPHX1
Trifluoroacetic Acid SCHEMBL15310321 0.82 EPHX2 (0.40) EPHX2CACNA1GKCNH2
SCHEMBL346883 0.75 ALDH1A1 (0.38) EPHX2CACNA1GKCNH2PRKAB2PRKAG1
SCHEMBL15310413 0.75 HRH3 (0.37) CACNA1GKCNH2PRKAB2PRKAG1PRKAA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
EP-2318368-B1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-16 EP disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 EPHX2 1501/4885CACNA1G 2942/4885EPHX1 2037/4885

“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.