SCHEMBL29839331

SCHEMBL29839331

Cc1cn(C)c(=O)c2c(C(=O)N3CCCC3c3ccccc3C(F)(F)F)cn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.43
HSP90AB1 P08238 6/20 0.43
HSD11B1 P28845 2/20 0.42
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
RBP4 P02753 4/20 0.38

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
SCHEMBL22729556 1.00 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSD11B1HCRTR1HCRTR2
SCHEMBL23116387 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSD11B1HCRTR1HCRTR2
SCHEMBL29839290 0.84 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSD11B1HCRTR1HCRTR2
SCHEMBL22729499 0.83 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL22729779 0.83 ROCK2 (0.43) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL22729681 0.82 RIPK1 (0.42) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL29839310 0.82 RIPK1 (0.42) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL23116410 0.81 HSP90AA1 (0.52) HSP90AA1HSP90AB1HSD11B1HCRTR1HCRTR2
SCHEMBL22729509 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSD11B1
SCHEMBL22729502 0.77 RIPK1 (0.47) HSP90AA1HSP90AB1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US 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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC HSP90AA1 3030/4885HSP90AB1 2624/4885HSD11B1 2394/4885

“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.