SCHEMBL4216573

SCHEMBL4216573

Cc1cnc(C2CCCN2C(=O)C(F)(F)F)o1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.39
▸ HCRTR1 O43613 4/20 0.39
▸ HCRTR2 O43614 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ GRM5 P41594 3/20 0.35
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 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
SCHEMBL4216577 1.00 RIPK1 (0.39) RIPK1HCRTR1HCRTR2ALDH1A1GRM5
SCHEMBL17069039 0.84 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1GRM5TSHR
SCHEMBL12234863 0.72 PREP (0.51) TSHR
SCHEMBL18815570 0.71 RIPK1 (0.41) RIPK1HCRTR1HCRTR2ALDH1A1GRM5
SCHEMBL18815596 0.69 CYP3A4 (0.43) RIPK1HCRTR1HCRTR2
SCHEMBL24993318 0.68 RIPK1 (0.47) RIPK1GRM5
SCHEMBL1576663 0.68 RIPK1 (0.73) RIPK1
SCHEMBL23501031 0.68 NTRK1 (0.49) RIPK1
SCHEMBL23501030 0.68 NTRK1 (0.49) RIPK1
SCHEMBL9682215 0.68 TDP1 (0.62) RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612059-B2 Pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON PHARMACEUTICALS, INC. (US) 2009-11-03 — — US disclosed
US-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE VICURON PHARMACEUTICALS INC. (US) 2009-06-11 — — US disclosed
EP-1406893-B1 PYRROLIDINE BICYCLIC COMPOUNDS VICURON PHARM INC (US) 2007-04-18 — — EP disclosed
US-6987104-B2 Pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON PHARMACEUTICALS INC. (US) 2006-01-17 — — US disclosed
US-20050277683-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON HOLDINGS LLC 2005-12-15 — — US disclosed
EP-1406893-A1 PYRROLIDINE BICYCLIC COMPOUNDS Vicuron Pharmaceuticals, Inc. (US) 2004-04-14 — — EP disclosed
US-20030069223-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON HOLDINGS LLC 2003-04-10 — — US disclosed
WO-2002102791-A1 PYRROLIDINE BICYCLIC COMPOUNDS VICURON PHARMACEUTICALS INC. (US) 2002-12-27 — — 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 (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-20030069223-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use PDF, TPMT, NOD1 RIPK1 2329/4885HCRTR1 4453/4885HCRTR2 4714/4885
US-20050277683-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use PDF, PNPO, PDXK RIPK1 1275/4885HCRTR1 4806/4885HCRTR2 4871/4885
US-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE PDF, PNPO, PDXK RIPK1 1275/4885HCRTR1 4806/4885HCRTR2 4871/4885

“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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