SCHEMBL21138810

SCHEMBL21138810

Clc1nccn2c([C@H]3[C@@H]4CCCC[C@@H]43)nnc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.38
HSD11B1 P28845 9/20 0.35
NR1I2 O75469 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL21159626 1.00 ADORA3 (0.38) ADORA3HSD11B1NR1I2CCNE1CDK2
SCHEMBL21138331 0.84 HSD11B1 (0.47) ADORA3HSD11B1NR1I2CCNE1CDK2
SCHEMBL21057370 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21057369 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21159437 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21057366 0.83 ADORA3 (0.52) ADORA3
SCHEMBL19917115 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21057494 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21057492 0.83 ADORA3 (0.52) ADORA3
SCHEMBL21138816 0.83 HSD11B1 (0.49) ADORA3HSD11B1NR1I2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ADORA3 1484/4885HSD11B1 478/4885NR1I2 2630/4885

“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.