SCHEMBL347914

SCHEMBL347914

COC(=O)c1coc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CACNA1G O43497 5/20 0.47
KCNH2 Q12809 2/20 0.46
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
GSK3B P49841 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 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
SCHEMBL346655 0.90 PRKAA2 (0.46) EPHX2NPC1KMT2AHRH3RAB9A
SCHEMBL347845 0.89 EPHX2 (0.46) EPHX2CACNA1GKCNH2EPHX1
SCHEMBL1839277 0.88 KMT2A (0.45) EPHX2ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL10077357 0.87 KMT2A (0.41) EPHX2ALDH1A1NPC1SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL347844 0.86 EPHX2 (0.44) EPHX2KMT2AHRH3
Trifluoroacetic Acid SCHEMBL348092 0.84 PRKAA2 (0.43) EPHX2KMT2A
Trifluoroacetic Acid SCHEMBL346884 0.83 EPHX2 (0.41) EPHX2CACNA1GKCNH2KMT2AHRH3
Trifluoroacetic Acid SCHEMBL15310321 0.81 EPHX2 (0.40) EPHX2CACNA1GKCNH2KMT2AHRH3
SCHEMBL348445 0.74 KMT2A (0.43) EPHX2ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL7427115 0.73 HRH3 (0.57) ALDH1A1SMN1; SMN2CACNA1GKCNH2HRH3

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 EPHX2 1501/4885ALDH1A1 1156/4885NPC1 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.