SCHEMBL5205826

SCHEMBL5205826

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.54
▸ CASP3 P42574 4/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ MDM4 O15151 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CFD P00746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL5202706 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL6970042 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL5206190 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL5207070 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL5205538 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL6966679 0.90 PIN1 (0.53) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL5205413 0.85 PIN1 (0.47) PIN1CASP3MDM2CFD
SCHEMBL5206346 0.82 PIN1 (0.56) PIN1CASP3KMT2AMDM2MDM4
SCHEMBL5205819 0.81 CYP3A4 (0.38) PIN1KMT2ACFDCYP3A4CYP2D6
SCHEMBL9269897 0.80 PIN1 (0.52) PIN1CASP3KMT2AMDM4TP53

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 PIN1 4600/4885CASP3 2798/4885KMT2A 2175/4885
US-20070112059-A1 CYANOPYRROLIDINE DERIVATIVES DPP4, DPP9, DPP3 PIN1 804/4885CASP3 394/4885KMT2A 4423/4885
US-20070112205-A1 CYANOPYRROLIDINE DERIVATIVES CBR3, CBR1, TERT PIN1 2350/4885CASP3 2508/4885KMT2A 1591/4885

“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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