SCHEMBL348833

SCHEMBL348833

CC(C)CNC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NC4CCC4)o3)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
EPHX2 P34913 4/20 0.39
PRKAA2 P54646 6/20 0.39
PRKAB2 O43741 4/20 0.39
PRKAG1 P54619 4/20 0.39
PRKAA1 Q13131 4/20 0.39
PRKAG3 Q9UGI9 4/20 0.39
PRKAG2 Q9UGJ0 4/20 0.39
PRKAB1 Q9Y478 4/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
FASN P49327 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL347102 0.91 NPC1 (0.44) EPHX2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL347836 0.87 HRH3 (0.39) HRH3EPHX2POLBFASNTSHR
SCHEMBL348234 0.85 L3MBTL1 (0.42) HRH3EPHX2PRKAA2PRKAB2PRKAG1
SCHEMBL15310312 0.84 EPHX2 (0.44) EPHX2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL368037 0.83 EPHX2 (0.41) EPHX2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL347913 0.81 TSHR (0.43) HRH3EPHX2KMT2ATSHRNPSR1
SCHEMBL15310310 0.79 NPC1 (0.44) EPHX2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL347867 0.79 TP53 (0.43) EPHX2KMT2AFASN
SCHEMBL348149 0.78 EPHX2 (0.45) EPHX2KMT2AFASN
SCHEMBL346166 0.78 PDK1 (0.42) HRH3KMT2APOLBFASNTSHR

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 HRH3 1328/4885EPHX2 1501/4885PRKAA2 4031/4885

“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.