SCHEMBL20695147

SCHEMBL20695147

O=C1CCC2(CN(C(=O)c3ccc(-c4cc(F)c(F)cc4F)cc3)C2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.42
▸ MGLL Q99685 5/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ CECR2 Q9BXF3 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL20708566 0.88 FASN (0.43) FASNMGLLCECR2NAMPTHDAC1
SCHEMBL20695434 0.85 FASN (0.43) FASNMGLLPARP1CECR2NAMPT
SCHEMBL20695408 0.85 APP (0.43) FASNMGLLABL1BCRKDM1A
SCHEMBL20695167 0.85 MGLL (0.39) FASNMGLLNAMPTCRBNPKM
SCHEMBL20695423 0.85 MGLL (0.41) FASNMGLLNAMPTABL1BCR
SCHEMBL20695418 0.84 MGLL (0.40) FASNMGLL
SCHEMBL20695372 0.84 FASN (0.44) FASNMGLLPARP1CECR2NAMPT
SCHEMBL20695461 0.83 TTR (0.44) MGLLNAMPTABL1BCRCRBN
SCHEMBL20695192 0.82 MGLL (0.48) FASNMGLLNAMPTABL1BCR
SCHEMBL20695210 0.80 MAPK1 (0.50) FASNCRBN

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
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE FASN 3889/4885MGLL 138/4885PARP1 1967/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE FASN 3889/4885MGLL 138/4885PARP1 1967/4885

“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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