SCHEMBL4641247

SCHEMBL4641247

Nc1cccc2c1CCC2O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.45
ADRA2A P08913 1/20 0.42
POLL Q9UGP5 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
NR3C2 P08235 1/20 0.35
CD44 P16070 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
RGS12 O14924 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK1 P28482 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
SCHEMBL27453847 1.00 GID4 (0.45) GID4ADRA2APOLLDRD2DRD1
SCHEMBL9886292 1.00 GID4 (0.45) GID4ADRA2APOLLDRD2DRD1
SCHEMBL23948898 0.79 S1PR1 (0.42) POLLNR3C2CYP11B1CYP11B2
SCHEMBL20540210 0.79 S1PR1 (0.42) POLLNR3C2CYP11B1CYP11B2
SCHEMBL1508799 0.78 OPRL1 (0.43) POLLNR3C2OPRM1KCNH2KMT2A
SCHEMBL9534010 0.78 ESR1 (0.51) DRD2CYP1A2CYP3A4CYP2D6CYP1A1
SCHEMBL13518633 0.78 ESR1 (0.51) DRD2CYP1A2CYP3A4CYP2D6CYP1A1
SCHEMBL4014137 0.78 GID4 (0.46) GID4ADRA2ADRD2DRD1DRD5
SCHEMBL29860884 0.78 GID4 (0.46) GID4ADRA2ADRD2DRD1DRD5
SCHEMBL1746541 0.76 OPRL1 (0.51) ADRA2APOLLADRA1AOPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
EP-2048132-A1 Tetrahydro-naphthalene and urea derivatives Xention Limited (GB) 2009-04-15 EP disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
US-3988460-A Cyclopentenoquinolone compounds for treating bacterial infections BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-10-26 US 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 (1 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 GID4 2257/4885ADRA2A 116/4885POLL 1813/4885

“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.