SCHEMBL346460

SCHEMBL346460

C1CC2(CCN1)CCN(C1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.39
CYP3A4 P08684 6/20 0.39
USP2 O75604 5/20 0.39
CYP1A2 P05177 4/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL3 Q96JM7 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 6/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP2C19 P33261 4/20 0.39
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4130780 0.94 HRH3 (0.39) CYP2D6CYP3A4USP2CYP1A2TP53
SCHEMBL2633405 0.88 L3MBTL3 (0.49) CYP2D6CYP3A4USP2CYP1A2TP53
SCHEMBL2110081 0.88 L3MBTL3 (0.49) CYP2D6CYP3A4USP2CYP1A2TP53
SCHEMBL25369543 0.87 HRH3 (0.43) CYP2D6CYP3A4USP2TSHRALDH1A1
SCHEMBL345984 0.87 CYP2D6 (0.46) CYP2D6CYP3A4USP2CYP1A2TP53
Hydrochloric Acid SCHEMBL16059731 0.86 TSHR (0.50) CYP2D6CYP3A4USP2CYP1A2TP53
Hydrochloric Acid SCHEMBL346675 0.85 CYP2D6 (0.44) CYP2D6CYP3A4USP2CYP1A2TP53
SCHEMBL346495 0.85 TSHR (0.39) CYP2D6CYP3A4USP2CYP1A2TP53
SCHEMBL4130356 0.83 HRH3 (0.43) CYP2D6CYP3A4USP2CYP1A2L3MBTL3
SCHEMBL13381568 0.81 CYP2D6 (0.40) CYP2D6CYP3A4USP2CYP1A2L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 EP disclosed
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 CYP2D6 644/4885CYP3A4 354/4885USP2 763/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885CYP3A4 354/4885USP2 763/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885CYP3A4 354/4885USP2 763/4885

“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.