SCHEMBL15901017

SCHEMBL15901017

C[C@H](NC(=O)OCc1ccccc1)c1ccc(OC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.59
▸ CTSL P07711 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL16214228 0.89 ACACB (0.54) ACACBCTSLCTSSCTSK
SCHEMBL16187531 0.85 ACACB (0.54) ACACBCTSLCTSSCTSK
SCHEMBL18176134 0.85 ACACB (0.54) ACACBCTSLCTSSCTSK
SCHEMBL16213720 0.84 ACACB (0.56) ACACB
SCHEMBL16481368 0.83 ACACB (0.59) ACACB
SCHEMBL16213721 0.83 ACACB (0.59) ACACB
SCHEMBL15048243 0.83 ACACB (0.49) ACACBCYP3A4TSHR
SCHEMBL15075586 0.83 ACACB (0.49) ACACBCYP3A4TSHR
SCHEMBL15634768 0.82 ACACB (0.71) ACACB
SCHEMBL15048027 0.81 CYP3A4 (0.53) ACACBCTSLCTSSCTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
EP-2948442-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-10-26 — — EP disclosed
EP-2986604-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2016-02-24 — — EP disclosed
EP-2948442-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-12-02 — — EP disclosed
US-8962641-B2 Pyrimidine-substituted pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-24 — — US disclosed
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
WO-2014170197-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-23 — — WO disclosed
US-20140315882-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-23 — — US disclosed
WO-2014114578-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 — — WO disclosed
US-20140213568-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 — — 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 (2 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-20140315882-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, APRT, TYMS ACACB 3939/4885CTSL 806/4885CTSS 2906/4885
US-20140213568-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof PEPD, PGA5, PYCR1 ACACB 4266/4885CTSL 880/4885CTSS 2124/4885

“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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