SCHEMBL346659

SCHEMBL346659

O=C(Nc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1F)NC1CCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 8/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
FASN P49327 3/20 0.46
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL346223 0.88 NPC1 (0.55) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL10055086 0.84 EPHX1 (0.50) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL1020858 0.81 EPHX1 (0.56) NPC1RAB9AEPHX2KMT2AGAA
SCHEMBL348309 0.81 KDM5C (0.45) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL347102 0.79 NPC1 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL15310310 0.79 NPC1 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL347189 0.79 ALDH1A1 (0.46) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL348308 0.78 ACKR3 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL15310312 0.78 EPHX2 (0.44) NPC1RAB9APOLBL3MBTL1EPHX2
SCHEMBL347188 0.77 ALDH1A1 (0.44) 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 3 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

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.