SCHEMBL21138569

SCHEMBL21138569

Clc1nccn2c(C3CCCOC3)nnc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.37
ADORA3 P0DMS8 5/20 0.34
NR1I2 O75469 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
APLNR P35414 3/20 0.33
ADORA2A P29274 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
SCHEMBL17674961 0.92 HSD11B1 (0.41) HSD11B1ADORA3NR1I2PDE1APDE1B
SCHEMBL21138249 0.86 HSD11B1 (0.45) HSD11B1ADORA3NR1I2
SCHEMBL21138331 0.84 HSD11B1 (0.47) HSD11B1ADORA3NR1I2
SCHEMBL21138312 0.84 ADORA3 (0.46) ADORA3PDE1APDE1BPDE1C
SCHEMBL21138816 0.83 HSD11B1 (0.49) HSD11B1ADORA3NR1I2
SCHEMBL30396230 0.77 HSD11B1 (0.37) HSD11B1ADORA3NR1I2
SCHEMBL25525166 0.77 HSD11B1 (0.37) HSD11B1ADORA3NR1I2
SCHEMBL21057446 0.77 HSD11B1 (0.37) HSD11B1ADORA3NR1I2
SCHEMBL19917049 0.77 HSD11B1 (0.37) HSD11B1ADORA3NR1I2
SCHEMBL21138377 0.75 HSD11B1 (0.36) HSD11B1ADORA3NR1I2

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 HSD11B1 478/4885ADORA3 1484/4885NR1I2 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.