SCHEMBL4493375

SCHEMBL4493375

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 1/20 0.43
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
OPRM1 P35372 1/20 0.40
HDAC1 Q13547 1/20 0.40
AKR1C1 Q04828 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4507377 0.97 APP (0.47) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4503288 0.93 OPRM1 (0.38) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4504736 0.91 AKR1C3 (0.43) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4515335 0.87 OPRM1 (0.41) APPCYP2C19CYP2C9CYP3A4OPRM1
SCHEMBL4515775 0.86 APP (0.46) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4503949 0.85 OPRM1 (0.47) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4503379 0.84 OPRM1 (0.51) APPCYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL4517017 0.84 AKR1C3 (0.43) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL4495179 0.83 CYP11B2 (0.43) APPCYP2C19CYP2C9CYP2D6AKR1C3
SCHEMBL4491283 0.82 FFAR4 (0.45) APPCYP2C19CYP2C9CYP3A4CYP2D6

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 8 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-9056818-B2 Process for the preparation of derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-16 US disclosed
US-20110039934-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1-(2- HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.P.A. (IT) 2011-02-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110039934-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1-(2- HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID DHPS, CYP8B1, PCCA APP 2816/4885CYP2C19 21/4885CYP2C9 5/4885
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH APP 1024/4885CYP2C19 66/4885CYP2C9 109/4885

“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.