SCHEMBL5205819

SCHEMBL5205819

CC[C@H](C)[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)N1C[C@H](O)C[C@H]1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIN1 Q13526 1/20 0.36
▸ VHL P40337 11/20 0.36
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CAPN1 P07384 2/20 0.34
▸ CFD P00746 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6970048 0.92 PIN1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5202703 0.92 PIN1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5206185 0.92 PIN1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5205533 0.91 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5207064 0.91 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL6966683 0.91 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5205407 0.87 CTSL (0.39) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5206341 0.84 PIN1 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5209047 0.81 CTSL (0.40) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5205826 0.81 PIN1 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 — — US disclosed
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. 2007-05-17 — — US disclosed
EP-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 — — EP disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 — — US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 — — EP 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 (3 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-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 CYP3A4 221/4885CYP2D6 293/4885CYP2C9 58/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 CYP3A4 89/4885CYP2D6 307/4885CYP2C9 343/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT CYP3A4 653/4885CYP2D6 1917/4885CYP2C9 364/4885

“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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