SCHEMBL4503288

SCHEMBL4503288

N#CC1(c2ccc(-c3ccccc3-c3ccccc3)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
APP P05067 5/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4493375 0.93 APP (0.43) OPRM1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4507377 0.90 APP (0.47) OPRM1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4515335 0.86 OPRM1 (0.41) OPRM1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4504736 0.84 AKR1C3 (0.43) OPRM1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4505282 0.83 OPRM1 (0.41) OPRM1ALDH1A1NPC1LMNATP53
SCHEMBL4509323 0.80 OPRM1 (0.41) OPRM1APPCYP2C9ALDH1A1NPC1
SCHEMBL4515775 0.79 APP (0.46) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4503949 0.78 OPRM1 (0.47) OPRM1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4504141 0.78 ALDH1A1 (0.35) OPRM1APPCYP2C9FFAR4ALDH1A1
SCHEMBL4503379 0.78 OPRM1 (0.51) OPRM1APPCYP2C19CYP2C9CYP3A4

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 2 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

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 OPRM1 640/4885APP 1024/4885CYP2C19 66/4885

“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.