SCHEMBL11938414

SCHEMBL11938414

NC(=O)[C@@H]1CCCN1C(=O)Nc1nccs1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ PIK3CA P42336 15/20 0.53
▸ PIK3CD O00329 12/20 0.51
▸ PIK3CB P42338 11/20 0.51
▸ PIK3CG P48736 10/20 0.51
▸ PIK3C2B O00750 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29099520 0.78 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL11938412 0.78 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL6273381 0.74 MEN1 (0.53) HTTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30460492 0.73 HTT (0.60) HTTTSHRGAAL3MBTL1
SCHEMBL30460573 0.73 HTT (0.60) HTTTSHRGAAL3MBTL1
SCHEMBL2844451 0.73 SMN1; SMN2 (0.57) TSHR
SCHEMBL15955947 0.72 HTT (0.69) HTTTSHRGAAL3MBTL1
SCHEMBL15955788 0.72 HTT (0.69) HTTTSHRGAAL3MBTL1
SCHEMBL15955789 0.72 HTT (0.69) HTTTSHRGAAL3MBTL1
SCHEMBL32670693 0.72 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 — — US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 — — 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 (3 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD HTT 3704/4885PIK3CA 5/4885PIK3CD 3/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD HTT 3704/4885PIK3CA 5/4885PIK3CD 3/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD HTT 3774/4885PIK3CA 2/4885PIK3CD 3/4885

“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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