SCHEMBL3830852

SCHEMBL3830852

FC1(F)CC(OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
DPP4 P27487 1/20 0.47
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
NAAA Q02083 3/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.39
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL11945827 0.86 OPRM1 (0.54) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL32686822 0.84 CTSL (0.45) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL20284996 0.84 OPRM1 (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22111662 0.83 OPRM1 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL25183679 0.83 CTSL (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22594119 0.82 OPRM1 (0.53) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19388482 0.81 OPRM1 (0.60) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL25268815 0.81 CTSL (0.54) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL25269671 0.81 CTSL (0.43) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL26775766 0.81 CTSL (0.49) CTSLCTSBCTSKOPRM1OPRL1

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
EP-2103598-A1 Fluorinated cycloalkyl-derived benzoylguanidine, method for producing same, use of same as medicine and medicine containing same Sanofi-Aventis Deutschland GmbH (DE) 2009-09-23 EP disclosed
EP-1515947-B1 FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-09 EP disclosed
US-6878748-B2 Fluorinated cycloalkyl-derivatized benzoylguanidines, process for their preparation, their uses as medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-12 US disclosed
EP-1515947-A1 FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2005-03-23 EP disclosed
US-20040048930-A1 Fluorinated cycloalkyl-derivatized benzoylguanidines, process for their preparation, their uses as medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-11 US disclosed
WO-2003106410-A1 FLUORINATED CYCLOALKYL-DERIVATISED BENZOYLGUANIDINES AND THEIR USE AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-24 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-20040048930-A1 Fluorinated cycloalkyl-derivatized benzoylguanidines, process for their preparation, their uses as medicament, and medicament containing them FABP3, TNNI3, TNNT2 CTSL 1804/4885CTSB 762/4885CTSK 870/4885

“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.