SCHEMBL17473498

SCHEMBL17473498

COCOc1cc(C(=O)N2CCOCC2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GABRA5 P31644 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 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
SCHEMBL17473523 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL14930399 0.76 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL17473467 0.76 KDM4E (0.47) SMN1; SMN2KMT2AMEN1MAPTGABRA5
SCHEMBL17473310 0.76 GAA (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL14912963 0.75 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL17473324 0.75 CA12 (0.41) SMN1; SMN2RAB9ANPC1L3MBTL1KMT2A
SCHEMBL14926281 0.74 PDE2A (0.49) SMN1; SMN2L3MBTL1ATMMAPTHPGD
SCHEMBL2214941 0.72 HPGD (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL17076827 0.70 HPGD (0.48) SMN1; SMN2RAB9ANPC1L3MBTL1ATM
SCHEMBL21017704 0.70 GAA (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1ATM

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
EP-2980089-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-12-20 — — EP disclosed
US-20170174682-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174682-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 — — US disclosed
US-20170174682-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 — — US disclosed
US-9637483-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-02 — — US disclosed
US-9637483-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-02 — — US disclosed
US-20160039811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 — — US disclosed
US-20160039811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 — — US disclosed
EP-2980089-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-03 — — EP 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-20170174682-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SMN1; SMN2 286/4885RAB9A 1586/4885NPC1 4602/4885
US-20160039811-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SMN1; SMN2 286/4885RAB9A 1586/4885NPC1 4602/4885

“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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