SCHEMBL2178698

SCHEMBL2178698

CCC1CC=C(OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.37
DRD3 P35462 6/20 0.37
HTR1D P28221 3/20 0.37
DRD4 P21917 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR5A P47898 1/20 0.35

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
SCHEMBL10015000 0.89 DRD2 (0.38) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL18069445 0.87 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL19449967 0.86 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL21878981 0.85 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL20026787 0.85 DRD2 (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL10512980 0.85 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL22748433 0.84 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL22748394 0.84 DRD2 (0.36) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL12811147 0.84 DRD2 (0.33) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL17731215 0.83 ALDH1A1 (0.35) DRD2DRD3HTR1DDRD4DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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 (5 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 DRD2 2643/4885DRD3 3112/4885HTR1D 1115/4885
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, GUCY1B1 DRD2 3221/4885DRD3 3778/4885HTR1D 1209/4885
US-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 DRD2 4838/4885DRD3 4825/4885HTR1D 4830/4885
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP DRD2 3995/4885DRD3 3875/4885HTR1D 3280/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 DRD2 2643/4885DRD3 3112/4885HTR1D 1115/4885

“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.