SCHEMBL346495

SCHEMBL346495

C1CC2(CCN1)CN(C1CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 3/20 0.38
L3MBTL3 Q96JM7 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP2D6 P10635 9/20 0.36
USP2 O75604 5/20 0.36
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL18466006 0.93 TSHR (0.38) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL1792334 0.91 HRH3 (0.44) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL346460 0.85 CYP2D6 (0.39) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL25512052 0.84 TSHR (0.38) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL24717959 0.83 L3MBTL3 (0.46) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL26294463 0.80 TSHR (0.36) TSHRALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL30924711 0.79 SIGMAR1 (0.32) HRH3
SCHEMBL30924708 0.79 SIGMAR1 (0.32) HRH3
SCHEMBL345984 0.79 CYP2D6 (0.46) TSHRALDH1A1HSD17B10HPGDL3MBTL3
SCHEMBL4130780 0.79 HRH3 (0.39) TSHRALDH1A1HSD17B10HPGDL3MBTL3

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 TSHR 4046/4885ALDH1A1 633/4885HSD17B10 1570/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885ALDH1A1 633/4885HSD17B10 1570/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885ALDH1A1 633/4885HSD17B10 1570/4885

“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.