SCHEMBL16100618

SCHEMBL16100618

CSc1cccc(CC(=O)N2CCCn3nc(CCC(=O)O)cc3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ GRM5 P41594 7/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL16099772 0.87 GRM5 (0.40) POLBGRM5MEN1KMT2A
SCHEMBL21756473 0.81 ALDH1A1 (0.46) GRM5KMT2AGAA
SCHEMBL16100239 0.81 GFER (0.41) POLBGRM5MEN1KMT2AGAA
SCHEMBL21753810 0.81 ATM (0.47) GRM5MEN1KMT2A
SCHEMBL21753824 0.80 GRM5 (0.50) GRM5
SCHEMBL21753816 0.79 SIGMAR1 (0.53) GRM5MEN1KMT2AMAPT
SCHEMBL16099279 0.79 CA2 (0.43) GRM5KMT2A
SCHEMBL16102530 0.79 GRM5 (0.42) GRM5MAPT
SCHEMBL16099200 0.77 GRM5 (0.45) GRM5
SCHEMBL16100080 0.77 KMT2A (0.47) GRM5MEN1KMT2AMAPT

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 POLB 1030/4885GRM5 3340/4885MEN1 4761/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 POLB 3666/4885GRM5 1744/4885MEN1 687/4885

“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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