SCHEMBL345984

SCHEMBL345984

C1CC2(CCN1)CCN(C1CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.46
USP2 O75604 4/20 0.46
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 2/20 0.38
TP53 P04637 1/20 0.38
DRD2 P14416 1/20 0.38

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
Hydrochloric Acid SCHEMBL346675 0.98 CYP2D6 (0.44) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL21560986 0.93 CYP2D6 (0.40) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL13381568 0.93 CYP2D6 (0.40) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL4130356 0.91 HRH3 (0.43) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL346460 0.87 CYP2D6 (0.39) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL30731360 0.86 HRH3 (0.46) CYP2D6USP2HRH3
SCHEMBL13050536 0.86 L3MBTL3 (0.39) CYP2D6USP2TSHRCYP3A4L3MBTL3
Hydrochloric Acid SCHEMBL485121 0.85 L3MBTL3 (0.38) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL13190119 0.84 HTR6 (0.41) CYP2D6USP2TSHRCYP3A4L3MBTL3
SCHEMBL26754760 0.84 CYP2D6 (0.40) CYP2D6USP2TSHRCYP3A4L3MBTL3

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 CYP2D6 644/4885USP2 763/4885TSHR 4046/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885USP2 763/4885TSHR 4046/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885USP2 763/4885TSHR 4046/4885

“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.