SCHEMBL15034179

SCHEMBL15034179

Cc1ccn(CC2COCCO2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ USP2 O75604 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL18948371 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM3USP2
SCHEMBL11914063 0.81 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM3USP2
SCHEMBL10174367 0.79 BRD4 (0.41) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL28200005 0.75 KEAP1 (0.41) FEN1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL24299650 0.74 IRAK4 (0.41) CHRM2CHRM4CHRM5CHRM3FEN1
SCHEMBL19446083 0.74 BRD4 (0.38) FEN1ALDH1A1MMP13KDM4ENPC1
SCHEMBL19192574 0.73 DRD2 (0.41) DRD2HTR2AHRH1
SCHEMBL21940456 0.71 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3L3MBTL1
SCHEMBL21961347 0.71 L3MBTL1 (0.40) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL22792309 0.70 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 — — EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 — — EP disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 — — EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 — — EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 — — US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — 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 (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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CHRM2 4840/4885CHRM4 4867/4885CHRM5 4848/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CHRM2 4840/4885CHRM4 4867/4885CHRM5 4848/4885

“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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