SCHEMBL2108616

SCHEMBL2108616

CC[C@H]1C[C@@](O)(c2cc(F)cc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
METAP2 P50579 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
CYP11B2 P19099 5/20 0.33
TRIM24 O15164 1/20 0.32
CYP11B1 P15538 1/20 0.32
TRPV1 Q8NER1 5/20 0.32
ADAM17 P78536 1/20 0.30

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
SCHEMBL8555580 0.89 ALOX5 (0.42) ALOX5CYP11B2TRIM24CYP11B1TRPV1
SCHEMBL8555575 0.89 ALOX5 (0.42) ALOX5CYP11B2TRIM24CYP11B1TRPV1
SCHEMBL8557662 0.89 ALOX5 (0.47) ALOX5METAP2GABRG2GABRB3GABRA5
SCHEMBL9275683 0.79 ALOX5 (0.48) ALOX5METAP2GABRG2GABRB3GABRA5
SCHEMBL9275052 0.78 ALOX5 (0.58) ALOX5METAP2GABRG2GABRB3GABRA5
SCHEMBL9280770 0.77 ALOX5 (0.58) ALOX5GABRG2GABRB3GABRA5CYP11B2
SCHEMBL9280772 0.77 ALOX5 (0.58) ALOX5GABRG2GABRB3GABRA5CYP11B2
SCHEMBL9280765 0.77 ALOX5 (0.58) ALOX5GABRG2GABRB3GABRA5CYP11B2
SCHEMBL9100476 0.77 ALOX5 (0.58) ALOX5GABRG2GABRB3GABRA5CYP11B2
SCHEMBL2107548 0.77 ALOX5 (0.43) ALOX5CYP11B2TRIM24CYP11B1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2005-12-22 US disclosed
EP-1579010-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2005-09-28 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 DECODE GENETICS EHF. (IS) 2005-05-26 US disclosed
WO-2004035741-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2004-04-29 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 (6 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-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885METAP2 304/4885GABRG2 4626/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885METAP2 304/4885GABRG2 4626/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 14/4885METAP2 120/4885GABRG2 4149/4885
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 ALOX5, ALOX15, ALOX12 ALOX5 1/4885METAP2 822/4885GABRG2 1858/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 13/4885METAP2 114/4885GABRG2 4121/4885
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 49/4885METAP2 112/4885GABRG2 3722/4885

“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.