SCHEMBL1410132

SCHEMBL1410132

CCOC(=O)CCC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 16/20 0.58
▸ DPP4 P27487 2/20 0.52
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43

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
SCHEMBL1410227 0.85 NOTUM (0.66) NOTUMDPP4
SCHEMBL1410170 0.81 DPP4 (0.47) NOTUMDPP4
SCHEMBL1410375 0.80 KDM4E (0.44) NOTUMTSHR
SCHEMBL29141957 0.79 NOTUM (0.69) NOTUMDPP4
SCHEMBL1409534 0.73 NOTUM (0.65) NOTUM
SCHEMBL12809875 0.72 NOTUM (0.49) NOTUM
SCHEMBL1409621 0.72 NOTUM (0.68) NOTUMDPP4
SCHEMBL12210031 0.72 NOTUM (0.65) NOTUMDPP4
SCHEMBL25216959 0.72 MAPT (0.63) NOTUMDPP4TSHRMAPK1
SCHEMBL28234009 0.71 NOTUM (0.67) NOTUMDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885DPP4 1356/4885TSHR 4026/4885

“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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