SCHEMBL4490301

SCHEMBL4490301

NC(=O)C1(c2ccc(-c3ccc(C(N)c4ccc(F)cc4F)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 4/20 0.38
APP P05067 3/20 0.38
CYP2C19 P33261 3/20 0.38
CTSK P43235 4/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSF Q9UBX1 2/20 0.37
CTSV O60911 1/20 0.37
CTSS P25774 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL4514390 0.88 HSD11B1 (0.43) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL4504165 0.75 SYK (0.39) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL4498256 0.73 CTSK (0.41) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL4504295 0.73 CTSK (0.41) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL379020 0.73 HSD11B1 (0.49) HSD11B1CYP2C9CYP3A4APPCYP2C19
Hydrochloric Acid SCHEMBL5794598 0.72 HSD11B1 (0.48) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL5011675 0.71 PTPN1 (0.47) HDAC3
SCHEMBL4508232 0.71 CTSK (0.41) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL4503224 0.71 CTSK (0.41) HSD11B1CYP2C9CYP3A4APPCYP2C19
SCHEMBL4507687 0.71 CTSK (0.41) HSD11B1CYP2C9CYP3A4APPCYP2C19

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 9 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
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
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
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 HSD11B1 617/4885CYP2C9 109/4885CYP3A4 311/4885

“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.