SCHEMBL346223

SCHEMBL346223

O=C(Nc1ccc(C(=O)N2CCNCC2)cc1F)NC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 8/20 0.48
KMT2A Q03164 2/20 0.48
FASN P49327 4/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PTK6 Q13882 1/20 0.44

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
SCHEMBL346659 0.88 NPC1 (0.56) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL348410 0.84 FASN (0.52) POLBEPHX2KMT2AFASNMAPT
SCHEMBL10055086 0.81 EPHX1 (0.50) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL1019015 0.81 EPHX2 (0.59) NPC1RAB9AEPHX2KMT2AGAA
SCHEMBL1829695 0.80 SIGMAR1 (0.50) POLBKMT2ALMNAPTK6
SCHEMBL6699144 0.78 GAA (0.48) POLBL3MBTL1KMT2AFASNGAA
SCHEMBL6699286 0.76 NPC1 (0.44) NPC1RAB9APOLBEPHX2KMT2A
SCHEMBL15310310 0.76 NPC1 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL347102 0.76 NPC1 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL348309 0.76 KDM5C (0.45) NPC1RAB9APOLBL3MBTL1EPHX2

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 6 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
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
CN-102131781-A 1-(4-ureidobenzoyl)piperazine derivatives ORGANON NV 2011-07-20 CN 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 NPC1 1/4885RAB9A 1970/4885POLB 1695/4885

“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.