SCHEMBL3375900

SCHEMBL3375900

COc1cnc2cccc(CC(O)[C@H]3CC[C@H](N)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.52
MTNR1A P48039 6/20 0.52
SSTR2 P30874 2/20 0.36
ROCK2 O75116 1/20 0.34
MELK Q14680 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE4B Q07343 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 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
SCHEMBL3375899 1.00 MTNR1B (0.52) MTNR1BMTNR1ASSTR2ROCK2MELK
SCHEMBL3372837 0.84 ROCK2 (0.50) MTNR1BMTNR1AROCK2
SCHEMBL3372840 0.84 ROCK2 (0.50) MTNR1BMTNR1AROCK2
SCHEMBL3452803 0.84 ROCK2 (0.50) MTNR1BMTNR1AROCK2
SCHEMBL3452807 0.84 ROCK2 (0.50) MTNR1BMTNR1AROCK2
SCHEMBL3375559 0.80 MTNR1B (0.50) MTNR1BMTNR1A
SCHEMBL3375560 0.80 MTNR1B (0.50) MTNR1BMTNR1A
SCHEMBL4779104 0.79 MTNR1B (0.44) MTNR1BMTNR1ASSTR2MELKAXL
SCHEMBL3779200 0.73 SLC2A1 (0.47) MTNR1BMTNR1ASSTR2
SCHEMBL14400285 0.72 MTNR1B (0.64) MTNR1BMTNR1APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 MTNR1B 57/4885MTNR1A 50/4885SSTR2 2816/4885

“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.