SCHEMBL5596993

SCHEMBL5596993

COCCN1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
ADORA2A P29274 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
KAT2B Q92831 1/20 0.35
OGFRL1 Q5TC84 1/20 0.34
GHSR Q92847 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
SOS1 Q07889 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5596515 0.88 DRD2 (0.39) DRD2ROCK2ROCK1
SCHEMBL5596494 0.87 DRD2 (0.36) DRD2ROCK2ROCK1
SCHEMBL5596830 0.87 DRD2 (0.36) DRD2ROCK2ROCK1
SCHEMBL5597027 0.86 CARM1 (0.40) DRD2ROCK2ROCK1
SCHEMBL5596645 0.86 DRD2 (0.40) DRD2ROCK2ROCK1
SCHEMBL5596827 0.86 SLC6A1 (0.35) SLC6A1
SCHEMBL5596981 0.86 SLC6A1 (0.37) DRD2SLC6A1
SCHEMBL5596954 0.85 DRD2 (0.38) DRD2
SCHEMBL5597147 0.85 DRD2 (0.41) DRD2
SCHEMBL5596563 0.85 DRD2 (0.40) DRD2GHSRROCK2ROCK1

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-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A DRD2 1473/4885ADORA2A 1829/4885KDM2B 2886/4885

“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.