SCHEMBL4497428

SCHEMBL4497428

N#CC1(c2ccc(-c3ccc(C(O)C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.45
CYP1A2 P05177 1/20 0.42
OPRM1 P35372 3/20 0.35
CTSL P07711 2/20 0.34
PRKCE Q02156 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL4502008 0.86 CTSK (0.43) CTSKCYP1A2CTSLPRKCE
SCHEMBL4503791 0.84 CTSK (0.42) CTSKCYP1A2
SCHEMBL2772192 0.73 CYP1A2 (0.43) CYP1A2OPRM1MAP4K4
SCHEMBL23512881 0.70 OPRM1 (0.64) CYP1A2OPRM1MAP4K4
SCHEMBL14441137 0.70 OPRM1 (0.49) OPRM1
SCHEMBL3719123 0.70 CYP1A2 (0.47) CYP1A2OPRM1
SCHEMBL14593355 0.70 ESR1 (0.48)
SCHEMBL12628146 0.69 KIF11 (0.46)
SCHEMBL4497165 0.69 KIF11 (0.46)
SCHEMBL8988146 0.69 ESR1 (0.58)

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 4 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

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 1101/4885CYP1A2 24/4885OPRM1 640/4885

“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.