SCHEMBL2520111

SCHEMBL2520111

CCO[C@@H]1C(=C=O)NC[C@H]1NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ EGLN1 Q9GZT9 3/20 0.35
▸ AR P10275 1/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL2520107 0.72 EPHX2 (0.46) EPHX2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL2517186 0.65 TP53 (0.41) EPHX2NPC1RAB9AHRH2HRH1
SCHEMBL6310028 0.65 EPHX2 (0.51) EPHX2NPC1RAB9AHRH2HRH1
SCHEMBL14313571 0.64 RAB9A (0.84) EPHX2NPC1RAB9AHRH2HRH1
SCHEMBL8584261 0.63 NPC1 (0.51) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL12858219 0.63 NPC1 (0.58) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL13368501 0.62 MEN1 (0.62) EPHX2NPC1RAB9AALDH1A1MEN1
SCHEMBL6305374 0.62 EPHX2 (0.48) EPHX2NPC1RAB9ALMNAKDM4E
SCHEMBL11456071 0.62 NPC1 (0.60) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL11456072 0.62 NPC1 (0.60) EPHX2NPC1RAB9AALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 — — US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 — — US disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 — — EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 — — 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 EPHX2 238/4885NPC1 1806/4885RAB9A 766/4885

“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.

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