SCHEMBL4498667

SCHEMBL4498667

CNC(=O)C1(c2ccc(-c3ccc(C(C)(C)O)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
HDAC1 Q13547 5/20 0.38
IDO1 P14902 3/20 0.36
OPRL1 P41146 1/20 0.36
MLYCD O95822 1/20 0.36
HDAC4 P56524 2/20 0.36
PIN1 Q13526 1/20 0.35
CTSK P43235 1/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
CREBBP Q92793 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
SCHEMBL4506397 0.81 CTSK (0.40) THRBOPRL1CTSKAPPCREBBP
SCHEMBL21938460 0.78 HDAC4 (0.44) THRBHDAC1OPRL1HDAC4ALDH1A1
SCHEMBL4711347 0.75 HDAC4 (0.42) THRBHDAC1OPRL1HDAC4APP
SCHEMBL25975348 0.75 MAPT (0.48) OPRL1HDAC4ALDH1A1SMN1; SMN2
SCHEMBL3553242 0.74 HDAC4 (0.62) HDAC1HDAC4ALDH1A1SMN1; SMN2
SCHEMBL8572144 0.73 HDAC4 (0.59) THRBHDAC1OPRL1HDAC4ALDH1A1
SCHEMBL4711696 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL19537445 0.70 LMNA (0.50) THRBIDO1OPRL1MLYCDHDAC4
SCHEMBL547767 0.70 KIF11 (0.44)
SCHEMBL18802754 0.70 KIF11 (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 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
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 THRB 568/4885HDAC1 739/4885IDO1 261/4885

“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.