SCHEMBL3027012

SCHEMBL3027012

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.39
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALPL P05186 1/20 0.32
CSF1R P07333 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
FFAR1 O14842 1/20 0.31
EGFR P00533 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL38657929 1.00 SNCA (0.39) SNCALPLLIPGDGAT1CA1
SCHEMBL17667880 0.88 LPL (0.44) SNCALPLLIPGDGAT1CA1
SCHEMBL2370200 0.86 LPL (0.42) SNCALPLLIPGCA1CA2
SCHEMBL29383901 0.81 SNCA (0.39) SNCALPLLIPGDGAT1CA1
SCHEMBL3670935 0.81 SNCA (0.39) SNCALPLLIPGDGAT1CA1
SCHEMBL22324125 0.80 LPL (0.41) SNCALPLLIPGDGAT1CA1
SCHEMBL15716891 0.80 ATXN2 (0.36) LPLLIPGDGAT1
SCHEMBL29384616 0.79 LPL (0.38) SNCALPLLIPGCA1CA2
SCHEMBL2326164 0.79 LPL (0.38) SNCALPLLIPGCA1CA2
SCHEMBL3028464 0.78 LPL (0.42) SNCALPLLIPGCA1CA2

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
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
EP-2212323-A2 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 WO disclosed
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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 (2 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 SNCA 4215/4885LPL 2943/4885LIPG 2011/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 SNCA 2290/4885LPL 4667/4885LIPG 4854/4885

“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.