SCHEMBL3373336

SCHEMBL3373336

COc1cnc2cccc([C@@](O)(CO)C3CCC(N)CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.35
HPGDS O60760 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL3372984 1.00 PTPN11 (0.35) PTPN11HPGDSMTNR1AMTNR1B
SCHEMBL4779789 0.77 KCNH2 (0.38)
SCHEMBL4792306 0.75 SLC2A1 (0.37) HPGDS
SCHEMBL14372225 0.71 NPC1 (0.40)
SCHEMBL3373329 0.70 PTPN11 (0.34) PTPN11MTNR1AMTNR1B
SCHEMBL3372981 0.70 PTPN11 (0.34) PTPN11MTNR1AMTNR1B
SCHEMBL6206236 0.69 PTPN11 (0.37) PTPN11
SCHEMBL3888149 0.69 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL590146 0.68 NPC1 (0.40) PTPN11MTNR1AMTNR1B
SCHEMBL4495706 0.67 KCNH2 (0.47) PTPN11

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 2423/4885HPGDS 2086/4885MTNR1A 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.