SCHEMBL3373329

SCHEMBL3373329

COc1cnc2cccc([C@@H](O)[C@H](O)[C@H]3CC[C@H](N)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.34
IDH1 O75874 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
PARP1 P09874 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL3372981 1.00 PTPN11 (0.34) PTPN11IDH1MTNR1AMTNR1BKCNH2
SCHEMBL3243332 0.86 PDE4B (0.36) MTNR1AMTNR1BKDM4EGAAKMT2A
SCHEMBL3245683 0.86 PDE4B (0.36) MTNR1AMTNR1BKDM4EGAAKMT2A
SCHEMBL3243324 0.86 PDE4B (0.36) MTNR1AMTNR1BKDM4EGAAKMT2A
SCHEMBL3245687 0.86 PDE4B (0.36) MTNR1AMTNR1BKDM4EGAAKMT2A
SCHEMBL3373306 0.83 KCNH2 (0.44) KCNH2
SCHEMBL3373310 0.83 KCNH2 (0.44) KCNH2
SCHEMBL1148042 0.82
SCHEMBL1148049 0.81
SCHEMBL1148046 0.80 KCNH2 (0.32) KCNH2

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 PTPN11 2423/4885IDH1 1877/4885MTNR1A 50/4885

“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.