SCHEMBL16100136

SCHEMBL16100136

O=C(O)CCc1cc2n(n1)CCN(C(=O)CCc1ccc(O)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 6/20 0.46
▸ ME1 P48163 6/20 0.46
▸ ME3 Q16798 6/20 0.46
▸ GRM5 P41594 12/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21756473 0.82 ALDH1A1 (0.46) GRM5NPC1
SCHEMBL21752922 0.81 ATM (0.46) ME2ME1ME3GRM5
SCHEMBL21753815 0.81 GRM5 (0.49) ME2ME1ME3GRM5
SCHEMBL21753809 0.81 SMN1; SMN2 (0.45) GRM5
SCHEMBL21753812 0.81 ALDH1A1 (0.46) GRM5NPC1
SCHEMBL21753823 0.81 MAPT (0.46) GRM5
SCHEMBL16102896 0.80 CA2 (0.44) GRM5
SCHEMBL21753819 0.80 KMT2A (0.48) GRM5NPC1TDP1
SCHEMBL21753827 0.79 SMN1; SMN2 (0.42) GRM5
SCHEMBL21753822 0.79 SMN1; SMN2 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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 (2 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ME2 1677/4885ME1 723/4885ME3 639/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ME2 4350/4885ME1 4409/4885ME3 4669/4885

“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.

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