SCHEMBL21767827

SCHEMBL21767827

CC1(C)C[C@H](c2ccccc2)Nc2c(C(=O)N3CC4CC4(c4ccc(OC(F)(F)F)cc4)C3)cnn21

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 20/20 0.50

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
SCHEMBL21767837 0.93 CASR (0.49) CASR
SCHEMBL21767813 0.91 CASR (0.57) CASR
SCHEMBL21767834 0.90 CASR (0.62) CASR
SCHEMBL21767839 0.89 CASR (0.47) CASR
SCHEMBL21926008 0.88 CASR (0.55) CASR
SCHEMBL21767878 0.88 CASR (0.55) CASR
SCHEMBL21767849 0.87 CASR (0.56) CASR
SCHEMBL21926013 0.86 CASR (0.52) CASR
SCHEMBL21767870 0.85 CASR (0.51) CASR
SCHEMBL21928752 0.85 CASR (0.56) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919891-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-16 — — US disclosed
US-10919891-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-16 — — US disclosed
US-10875862-B2 — — 2020-12-29 — — US disclosed
US-10875862-B2 — — 2020-12-29 — — US disclosed
US-20200131174-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
US-20200131174-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
EP-3617209-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-03-04 — — 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 (3 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-10919891-B2 Heterocyclic compound CASR, AGTR2, AGTR1 CASR 1/4885
US-20200131174-A1 HETEROCYCLIC COMPOUND CASR, AGTR2, AGTR1 CASR 1/4885
US-10875862-B2 — CASR, AGTR2, AGTR1 CASR 1/4885

“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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