SCHEMBL346850

SCHEMBL346850

O=C(Cl)N1CCC2(CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 7/20 0.39
SPR P35270 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CCKBR P32239 1/20 0.37
GRM5 P41594 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
SCHEMBL8223931 0.98 HSD11B1 (0.41) CYP1A2CYP2C9CYP2D6CYP2C19HSD11B1
SCHEMBL20564178 0.84 CYP2D6 (0.38) CYP1A2CYP2C9CYP2D6CYP2C19USP2
SCHEMBL3924590 0.78 HSD11B1 (0.42) CYP1A2CYP2C9CYP2D6CYP2C19HSD11B1
SCHEMBL31417910 0.77 SPR (0.41) CYP1A2CYP2C9CYP2D6CYP2C19SPR
SCHEMBL21138876 0.77 GRM5 (0.55) CYP1A2CYP2C9CYP2D6HSD11B1SPR
SCHEMBL4062010 0.76 HSD11B1 (0.45) CYP1A2CYP2C9CYP2C19HSD11B1SPR
SCHEMBL18711490 0.76 USP2 (0.55) CYP1A2CYP2C9CYP2D6CYP2C19USP2
SCHEMBL3379327 0.76 CTSB (0.38) CYP1A2CYP2C9CYP2D6CYP2C19HSD11B1
Hydrochloric Acid SCHEMBL8486057 0.76 HSD11B1 (0.41) CYP1A2CYP2C9CYP2D6CYP2C19HSD11B1
SCHEMBL5326103 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2D6CYP2C19HSD11B1

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-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US 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
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US 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 (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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP1A2 638/4885CYP2C9 667/4885CYP2D6 644/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP1A2 638/4885CYP2C9 667/4885CYP2D6 644/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP1A2 638/4885CYP2C9 667/4885CYP2D6 644/4885

“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.