SCHEMBL3636760

SCHEMBL3636760

Clc1ccc[c]c1-c1ccc2c(c1)OCC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
FABP4 P15090 13/20 0.36
FABP3 P05413 4/20 0.34
GSK3B P49841 1/20 0.34
FABP5 Q01469 1/20 0.34
DYRK1A Q13627 1/20 0.33
PIK3CA P42336 1/20 0.32
METAP2 P50579 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
SCHEMBL3149937 0.75 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3116201 0.71 FABP4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3149946 0.70 DYRK1A (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28074539 0.70 DYRK1A (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22681646 0.68 AXL (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6047664 0.67 ALOX5 (0.43) FABP4FABP3FABP5
SCHEMBL2428030 0.67 HSD17B1 (0.33)
SCHEMBL1701850 0.67 MAP3K14 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL435757 0.67 CYP1A2 (0.41)
SCHEMBL9648703 0.66 ALOX5 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US claimed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO claimed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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 (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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 PRKAB2 4476/4885PRKAG1 3621/4885PRKAA2 4167/4885

“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.