SCHEMBL2477286

SCHEMBL2477286

O=C1OC[C@@H]2C[C@]12c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
KDM1A O60341 1/20 0.38
PTGS2 P35354 2/20 0.33
HSD11B1 P28845 1/20 0.33
LIG1 P18858 1/20 0.33
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL2481548 1.00 MAOB (0.38) MAOBMAOAKDM1APTGS2HSD11B1
SCHEMBL6023016 0.87 CXCR3 (0.35) MAOBMAOAKDM1AHSD11B1MAPK1
SCHEMBL2481090 0.83 MAOB (0.39) MAOBMAOAPTGS2HSD11B1LIG1
SCHEMBL10983883 0.83 CYP19A1 (0.46) ALDH1A1
SCHEMBL10992027 0.83 SLC6A2 (0.40) MAOBMAOAHSD11B1CCR2
SCHEMBL2478791 0.83 SLC6A2 (0.40) MAOBMAOAHSD11B1CCR2
SCHEMBL2482801 0.83 MAOB (0.39) MAOBMAOAPTGS2HSD11B1LIG1
SCHEMBL1286642 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MAPK1KMT2A
SCHEMBL21153824 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MAPK1KMT2A
SCHEMBL2116916 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MAPK1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 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-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 MAOB 2221/4885MAOA 2838/4885KDM1A 3544/4885

“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.