SCHEMBL20695461

SCHEMBL20695461

O=C1CCC2(CN(C(=O)c3ccc(-c4c(F)cccc4F)cc3)C2)N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.44
▸ MGLL Q99685 3/20 0.43
▸ NOS1 P29475 3/20 0.40
▸ NOS2 P35228 3/20 0.40
▸ TYK2 P29597 3/20 0.38
▸ PDCD1LG2 Q9BQ51 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ DDB1 Q16531 1/20 0.35

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
SCHEMBL20695423 0.89 MGLL (0.41) MGLLCRBNNAMPTABL1BCR
SCHEMBL20695308 0.89 PKM (0.38) TTRMGLLNOS1NOS2PDCD1LG2
SCHEMBL20695210 0.85 MAPK1 (0.50) CRBNDDB1
SCHEMBL20695167 0.84 MGLL (0.39) MGLLCRBNNAMPTPKM
SCHEMBL20695342 0.84 CD274 (0.40) MGLLPDCD1LG2CD274CRBN
SCHEMBL20695147 0.83 FASN (0.42) MGLLCRBNNAMPTABL1BCR
SCHEMBL20695434 0.82 FASN (0.43) MGLLPDCD1LG2CD274CRBNNAMPT
SCHEMBL20695153 0.81 SLC6A7 (0.42) MGLL
SCHEMBL20695199 0.81 PKM (0.42) MGLLPDCD1LG2CD274CRBNPKM
SCHEMBL20695169 0.81 MEN1 (0.47) MGLL

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 TTR 3061/4885MGLL 138/4885NOS1 845/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE TTR 3061/4885MGLL 138/4885NOS1 845/4885

“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.

Send feedback