SCHEMBL2482801

SCHEMBL2482801

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HSD11B1 P28845 11/20 0.35
PTGS2 P35354 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LIG1 P18858 1/20 0.33
EGFR P00533 2/20 0.32

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
SCHEMBL2481090 1.00 MAOB (0.39) MAOBMAOAHSD11B1PTGS2CYP19A1
SCHEMBL6023016 0.87 CXCR3 (0.35) MAOBMAOAHSD11B1CYP19A1MEN1
SCHEMBL2481548 0.83 MAOB (0.38) MAOBMAOAHSD11B1PTGS2MEN1
SCHEMBL2477286 0.83 MAOB (0.38) MAOBMAOAHSD11B1PTGS2MEN1
SCHEMBL2478791 0.83 SLC6A2 (0.40) MAOBMAOAHSD11B1CYP19A1
SCHEMBL2610412 0.83 CYP19A1 (0.32) CYP19A1
SCHEMBL10983883 0.83 CYP19A1 (0.46) CYP19A1
SCHEMBL21153824 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MEN1KMT2A
SCHEMBL2116916 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MEN1KMT2A
SCHEMBL4404026 0.82 MAPK1 (0.40) MAOBMAOAHSD11B1MEN1KMT2A

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
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
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 (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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 MAOB 344/4885MAOA 487/4885HSD11B1 322/4885
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 MAOB 2221/4885MAOA 2838/4885HSD11B1 1217/4885

“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.