SCHEMBL4070867

SCHEMBL4070867

CN1CCC2(CC1)CN(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL27038832 0.84 CYP1A2 (0.47) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL20472810 0.83 USP2 (0.47) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL18390599 0.83 CYP1A2 (0.54) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL30557323 0.81
SCHEMBL24629668 0.81 CYP3A4 (0.42) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL16600244 0.81 CYP3A4 (0.42) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL27007062 0.81 USP2 (0.54) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL4064514 0.79 CYP2D6 (0.40) CYP3A4CYP2C19CYP2D6USP2CYP1A2
SCHEMBL18390602 0.78 CYP3A4 (0.40) CYP3A4CYP2C19CYP2D6USP2HSD17B10
SCHEMBL18389871 0.78 CYP3A4 (0.40) CYP3A4CYP2C19CYP2D6USP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 US disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 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-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 CYP3A4 3647/4885CYP2C19 4099/4885CYP2D6 3817/4885

“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.