SCHEMBL3374607

SCHEMBL3374607

COc1cnc2cccc([C@@H](O)[C@H](O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 4/20 0.38
JAK1 P23458 4/20 0.38
JAK2 O60674 2/20 0.38
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL3374612 1.00 MTNR1A (0.39) MTNR1AMTNR1BKDM1AMAOBCKS1B
SCHEMBL3377910 1.00 MTNR1A (0.39) MTNR1AMTNR1BKDM1AMAOBCKS1B
SCHEMBL3377914 1.00 MTNR1A (0.39) MTNR1AMTNR1BKDM1AMAOBCKS1B
SCHEMBL2543049 0.86 KCNH2 (0.44) MTNR1AMTNR1BKDM1AMAOBJAK1
SCHEMBL2543045 0.86 KCNH2 (0.44) MTNR1AMTNR1BKDM1AMAOBJAK1
SCHEMBL3373040 0.82 MTNR1B (0.42) MTNR1AMTNR1BKDM1AMAOBCKS1B
SCHEMBL3373045 0.82 MTNR1B (0.42) MTNR1AMTNR1BKDM1AMAOBCKS1B
SCHEMBL3245683 0.81 PDE4B (0.36) MTNR1AMTNR1BJAK1JAK2
SCHEMBL3243324 0.81 PDE4B (0.36) MTNR1AMTNR1BJAK1JAK2
SCHEMBL3243332 0.81 PDE4B (0.36) MTNR1AMTNR1BJAK1JAK2

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-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

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 MTNR1A 50/4885MTNR1B 57/4885KDM1A 1303/4885

“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.