SCHEMBL348551

SCHEMBL348551

CC(C)(C)NC(=O)n1ccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 7/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FASN P49327 3/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PAK1 Q13153 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL349167 0.88 L3MBTL1 (0.42) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL347706 0.84 ACKR3 (0.43) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL346910 0.82 ALDH1A1 (0.41) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL1018507 0.80 ACKR3 (0.46) L3MBTL1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL347099 0.79 PRKAA2 (0.44) L3MBTL1EPHX2PRKAB2PRKAG1PRKAA2
SCHEMBL348234 0.79 L3MBTL1 (0.42) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL348806 0.78 L3MBTL1 (0.44) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL348309 0.78 KDM5C (0.45) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL348308 0.77 ACKR3 (0.44) L3MBTL1EPHX2NPC1POLBRAB9A
SCHEMBL347273 0.77 ALDH1A1 (0.43) L3MBTL1EPHX2NPC1POLBRAB9A

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 7 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

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 L3MBTL1 3842/4885EPHX2 1501/4885NPC1 1/4885

“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.