SCHEMBL10003026

SCHEMBL10003026

CCOC(=O)CN(C)c1nc(CC)c(Br)c(OC(=O)C(C)(C)C)c1C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10003101 0.79 HTT (0.37) HTTADORA3ALDH1A1SMN1; SMN2
SCHEMBL10003662 0.69 GAA (0.33) ALDH1A1
SCHEMBL10004207 0.67 NPSR1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10004048 0.66 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL10003521 0.65 KDM4E (0.33) ALDH1A1
SCHEMBL10003274 0.59 HTT (0.40) HTTADORA3ALDH1A1SMN1; SMN2
SCHEMBL5211082 0.59 CYP1A2 (0.41) HTTADORA3ALDH1A1SMN1; SMN2
SCHEMBL11563077 0.57 MAPT (0.52) HTTALDH1A1SMN1; SMN2
SCHEMBL12490618 0.57 ADORA3 (0.50) HTTADORA3ALDH1A1SMN1; SMN2
SCHEMBL12503500 0.56 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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 (1 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH HTT 3635/4885ADORA3 2049/4885ALDH1A1 321/4885

“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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