SCHEMBL348145

SCHEMBL348145

CC(C)(C)NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)o1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL347576 0.83 EPHX2 (0.40) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL1020008 0.82 MEN1 (0.50) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL347867 0.81 TP53 (0.43) HTT
SCHEMBL347836 0.81 HRH3 (0.39) ALDH1A1NPSR1HTTSMN1; SMN2HRH3
SCHEMBL15310292 0.81 MAPK1 (0.41) KDM4EALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL348234 0.81 L3MBTL1 (0.42) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL347498 0.80 MAPK1 (0.41) KDM4EALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL347913 0.80 TSHR (0.43) ALDH1A1NPSR1HTTSMN1; SMN2HRH3
SCHEMBL347202 0.78 ALDH1A1 (0.54) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL348680 0.77 ALDH1A1 (0.42) KDM4EGAAALDH1A1SMN1; SMN2HRH3

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
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
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 (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 KDM4E 3947/4885GAA 3420/4885ALDH1A1 1156/4885

“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.