SCHEMBL348149

SCHEMBL348149

CC1(NC(=O)c2ccc(CN3CCN(C(=O)c4ccc(NC(=O)NCC5CC5)c(F)c4)CC3)o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FASN P49327 2/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL347867 0.88 TP53 (0.43) EPHX2TP53MAPTKMT2AMEN1
SCHEMBL368037 0.85 EPHX2 (0.41) EPHX2TP53MAPTKMT2AMEN1
SCHEMBL347102 0.78 NPC1 (0.44) EPHX2KMT2A
SCHEMBL347807 0.78 HTT (0.46) TP53MAPTKMT2AMEN1GSK3B
SCHEMBL348833 0.78 HRH3 (0.40) EPHX2KMT2AFASN
SCHEMBL347576 0.78 EPHX2 (0.40) EPHX2
SCHEMBL347836 0.77 HRH3 (0.39) EPHX2MAPTFASN
SCHEMBL1512820 0.77 RORC (0.49) EPHX2TP53MAPTKMT2AMEN1
SCHEMBL348234 0.76 L3MBTL1 (0.42) EPHX2KMT2AFASN
SCHEMBL15310292 0.76 MAPK1 (0.41) EPHX2

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 1501/4885TP53 4394/4885MAPT 2600/4885

“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.