SCHEMBL2520107

SCHEMBL2520107

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MMP3 P08254 2/20 0.40
▸ MMP7 P09237 2/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CHEK1 O14757 2/20 0.39
▸ CHEK2 O96017 2/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL2515957 0.80 EPHX2 (0.47) EPHX2NPC1RAB9ATAS1R3TAS1R1
SCHEMBL5255438 0.76 USP30 (0.52) EPHX2ADAM17KMT2AMMP3MMP7
SCHEMBL2513490 0.76 USP30 (0.52) EPHX2ADAM17KMT2AMMP3MMP7
SCHEMBL2514792 0.74 TAS1R3 (0.40) EPHX2NPC1RAB9ATAS1R3TAS1R1
SCHEMBL13110287 0.74 MAPT (0.38) TAS1R3TAS1R1ALDH1A1MAPTPKM
SCHEMBL3450499 0.72 F10 (0.47) NPC1RAB9ATAS1R3TAS1R1KDM4E
SCHEMBL2520111 0.72 EPHX2 (0.44) EPHX2NPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3450496 0.71 F10 (0.46) NPC1RAB9ATAS1R3TAS1R1KDM4E
SCHEMBL3929566 0.71 MAPT (0.55) EPHX2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8584261 0.70 NPC1 (0.51) EPHX2NPC1RAB9AALDH1A1L3MBTL1

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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