SCHEMBL4508232

SCHEMBL4508232

NC(=O)C1(c2ccc(-c3ccc([C@@H](O)C(F)F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
HSD11B1 P28845 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSF Q9UBX1 2/20 0.38
SYK P43405 1/20 0.38
LMNA P02545 1/20 0.35
CTSV O60911 1/20 0.35
CTSS P25774 1/20 0.35
ALOX5 P09917 1/20 0.35
APP P05067 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33

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
SCHEMBL4507687 1.00 CTSK (0.41) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4503224 1.00 CTSK (0.41) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4498256 0.85 CTSK (0.41) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4504295 0.85 CTSK (0.41) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4513629 0.84 APP (0.52) CTSKHSD11B1APPCYP2C9CYP2C19
SCHEMBL4504165 0.81 SYK (0.39) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4505013 0.78 CTSK (0.46) CTSKHSD11B1APPCYP2C9CYP2C19
SCHEMBL30662077 0.75 AKR1C1 (0.46) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4514390 0.73 HSD11B1 (0.43) CTSKHSD11B1CTSLCTSBCTSF
SCHEMBL4503594 0.73 APP (0.45) APPCYP2C9CYP2C19CYP2D6PRKAB2

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH CTSK 1101/4885HSD11B1 617/4885CTSL 2212/4885

“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.