SCHEMBL1410375

SCHEMBL1410375

CCOC(=O)CCC1CCN(c2cccc(C(F)(F)F)c2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NOTUM Q6P988 2/20 0.42
▸ RBP4 P02753 8/20 0.40
▸ TTR P02766 7/20 0.40
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1410383 0.85 NOTUM (0.49) NOTUMRBP4TTRDRD2DRD3
SCHEMBL1410132 0.80 NOTUM (0.58) NOTUMTSHR
SCHEMBL1410170 0.75 DPP4 (0.47) KDM4EALDH1A1NOTUMRBP4SMN1; SMN2
SCHEMBL1410348 0.72 NOTUM (0.49) NOTUMP2RX7
SCHEMBL31042538 0.71 CHRM4 (0.49) KDM4EALDH1A1NOTUMSMN1; SMN2DRD2
SCHEMBL1410084 0.70 NOTUM (0.44) NOTUMP2RX7
SCHEMBL2517376 0.70 NOTUM (0.48) NOTUMRBP4TTRP2RX7
SCHEMBL31458523 0.69 TSHR (0.60) KDM4EALDH1A1NOTUMTSHRPOLB
Potassium Ion SCHEMBL1409563 0.68 NOTUM (0.44) NOTUMP2RX7
SCHEMBL9218378 0.68 ACHE (0.64) DRD2

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 KDM4E 641/4885ALDH1A1 270/4885NOTUM 874/4885

“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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