SCHEMBL347273

SCHEMBL347273

COC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 5/20 0.42
ACKR3 P25106 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.40
CXCR3 P49682 1/20 0.39
MEN1 O00255 1/20 0.39
FASN P49327 1/20 0.39
MAPK1 P28482 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
SCHEMBL347189 0.90 ALDH1A1 (0.46) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL347188 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL346910 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL348806 0.85 L3MBTL1 (0.44) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL348308 0.80 ACKR3 (0.44) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL348309 0.79 KDM5C (0.45) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL13458595 0.77 L3MBTL1 (0.42) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL347706 0.77 ACKR3 (0.43) ALDH1A1L3MBTL1EPHX2ACKR3NPC1
SCHEMBL348551 0.77 L3MBTL1 (0.41) ALDH1A1L3MBTL1EPHX2NPC1POLB
SCHEMBL1018507 0.76 ACKR3 (0.46) ALDH1A1L3MBTL1ACKR3KMT2AMEN1

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 ALDH1A1 1156/4885L3MBTL1 3842/4885EPHX2 1501/4885

“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.