SCHEMBL20695157

SCHEMBL20695157

O=C1CCC2(CN(C(=O)C3=Cc4ccccc4C3)C2)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MGLL Q99685 5/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ CRBN Q96SW2 8/20 0.33
▸ DDB1 Q16531 3/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.30

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
SCHEMBL20695457 0.74 HSD11B1 (0.51) MGLLNAMPTCYP11B1CYP11B2CD274
SCHEMBL20695210 0.72 MAPK1 (0.50) CRBNDDB1
SCHEMBL30620955 0.70 CYP11B1 (0.38) MGLLCRBNCYP11B1CYP11B2CD274
SCHEMBL20695340 0.69 BRD4 (0.50) MGLLCRBNDDB1
SCHEMBL20695455 0.68 MAPT (0.55) —
SCHEMBL20695504 0.68 HTT (0.54) CRBN
SCHEMBL20695172 0.68 HRH4 (0.52) —
SCHEMBL20695238 0.68 CRBN (0.39) MGLLNAMPTCRBNDDB1
SCHEMBL20695092 0.68 RAB9A (0.43) —
SCHEMBL20695447 0.68 MGLL (0.39) MGLLCD274PDCD1LG2

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 MAOA 198/4885MAOB 234/4885MGLL 138/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE MAOA 198/4885MAOB 234/4885MGLL 138/4885

“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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