SCHEMBL347706

SCHEMBL347706

CC(C)(C)NC(=O)c1ccnc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FASN P49327 2/20 0.41
EPHX2 P34913 4/20 0.40
PRKAA2 P54646 6/20 0.40
PRKAB2 O43741 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAG3 Q9UGI9 3/20 0.40
PRKAG2 Q9UGJ0 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
DRD4 P21917 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
SCHEMBL348806 0.88 L3MBTL1 (0.44) ACKR3L3MBTL1FASNEPHX2NPC1
SCHEMBL348309 0.88 KDM5C (0.45) ACKR3L3MBTL1FASNEPHX2PRKAA2
SCHEMBL347099 0.88 PRKAA2 (0.44) ACKR3L3MBTL1EPHX2PRKAA2PRKAB2
SCHEMBL348308 0.87 ACKR3 (0.44) ACKR3L3MBTL1FASNEPHX2PRKAA2
SCHEMBL1018507 0.87 ACKR3 (0.46) ACKR3L3MBTL1PRKAA2PRKAB2PRKAG1
SCHEMBL346910 0.86 ALDH1A1 (0.41) ACKR3L3MBTL1EPHX2PRKAA2PRKAB2
SCHEMBL13458595 0.86 L3MBTL1 (0.42) ACKR3L3MBTL1FASNEPHX2PRKAA2
SCHEMBL348367 0.85 ACKR3 (0.42) ACKR3EPHX2PRKAA2PRKAB2PRKAG1
SCHEMBL348551 0.84 L3MBTL1 (0.41) L3MBTL1FASNEPHX2PRKAA2PRKAB2
SCHEMBL348234 0.83 L3MBTL1 (0.42) ACKR3L3MBTL1FASNEPHX2PRKAA2

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-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
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
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 US disclosed
EP-2318368-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. Organon (NL) 2011-05-11 EP disclosed
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 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 (2 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 ACKR3 1675/4885L3MBTL1 3842/4885FASN 1591/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE ACKR3 1327/4885L3MBTL1 3990/4885FASN 1655/4885

“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.