SCHEMBL6631258

SCHEMBL6631258

c1cnc(N2CCN(Cc3cnc(N4CCC(N5CCCCC5)CC4)n4nc(-c5ccco5)nc34)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL6727631 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6635797 0.90 ADORA2A (0.49) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6632380 0.88 ADRA2A (0.46) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6632462 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6632408 0.85 ADORA2A (0.52) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6634776 0.85 ADORA2A (0.54) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6633375 0.85 ADORA2A (0.44) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6632003 0.85 ADORA2A (0.49) ADORA2AADORA1ADRA2AADRA2BADRA2C
SCHEMBL6636517 0.84 ADRA2A (0.53) ADORA2AADORA1ADORA3ADRA2AADRA2B
SCHEMBL6631101 0.82 ADRA2A (0.45) ADORA2AADORA1ADORA3ADRA2AADRA2B

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-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ADORA2A 89/4885ADORA1 129/4885ADORA3 85/4885

“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.