SCHEMBL347550

SCHEMBL347550

CCCCN1CCC2(CCNCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
DRD3 P35462 3/20 0.46
DRD2 P14416 2/20 0.46
GNAO1 P09471 5/20 0.45
GNAI3 P08754 4/20 0.45
GNAI1 P63096 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 SCHEMBL346005 0.98 TSHR (0.50) TSHRDRD3DRD2GNAO1GNAI3
SCHEMBL24688457 0.93 TSHR (0.42) TSHRDRD3DRD2GNAO1GNAI3
SCHEMBL10263353 0.88 TSHR (0.50) TSHRDRD3GNAO1GNAI3GNAI1
SCHEMBL23921701 0.82 TSHR (0.44) TSHRDRD3DRD2GNAO1GNAI3
SCHEMBL23135328 0.82 DRD2 (0.49) DRD3DRD2GNAO1GNAI3GNAI1
SCHEMBL23767360 0.81 S1PR1 (0.53) DRD3DRD2GNAO1GNAI3GNAI1
SCHEMBL25030266 0.80 TSHR (0.41) TSHRDRD3MEN1ALDH1A1CYP2C9
SCHEMBL10268129 0.79 TSHR (0.63) TSHRDRD2MEN1ALDH1A1CYP2C9
SCHEMBL8038174 0.79 CXCR4 (0.56) GNAO1GNAI3GNAI1MEN1KMT2A
SCHEMBL160891 0.79 CXCR4 (0.56) GNAO1GNAI3GNAI1MEN1KMT2A

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 4046/4885DRD3 4470/4885DRD2 4586/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885DRD3 4470/4885DRD2 4586/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885DRD3 4470/4885DRD2 4586/4885

“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.