SCHEMBL3373045

SCHEMBL3373045

COc1cnc2cccc(C(O)C(O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.42
MTNR1A P48039 5/20 0.42
BTK Q06187 2/20 0.41
HPGDS O60760 3/20 0.41
JAK1 P23458 3/20 0.40
JAK2 O60674 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL3373040 1.00 MTNR1B (0.42) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL4777737 0.85 MTNR1B (0.43) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3375559 0.84 MTNR1B (0.50) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3375560 0.84 MTNR1B (0.50) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3374612 0.82 MTNR1A (0.39) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3374607 0.82 MTNR1A (0.39) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3377910 0.82 MTNR1A (0.39) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3377914 0.82 MTNR1A (0.39) MTNR1BMTNR1ABTKHPGDSJAK1
SCHEMBL3769272 0.82 SLC2A1 (0.53) MTNR1BMTNR1AKDM4DCKS1BSKP1
SCHEMBL5426776 0.79 KMT2A (0.44) MTNR1BMTNR1AJAK1JAK2PIK3CA

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 50/4885BTK 3777/4885

“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.