SCHEMBL3456001

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.

	Compound	similarity	top predicted	shared targets
	SCHEMBL1554287	0.96	ADORA2A (0.72)	ADORA2AADORA2BADORA1ADORA3PDE4B
	SCHEMBL1553621	0.92	ADORA2A (0.75)	ADORA2AADORA2BADORA1ADORA3
	SCHEMBL3456040	0.90	ADORA2A (0.67)	ADORA2AADORA2BADORA1ADORA3HDAC1
	SCHEMBL3455569	0.88	ADORA2A (0.69)	ADORA2AADORA2BADORA1ADORA3HDAC1
	SCHEMBL3455260	0.88	ADORA2A (0.69)	ADORA2AADORA2BADORA1ADORA3HDAC1
	SCHEMBL1553977	0.88	ADORA2A (0.74)	ADORA2AADORA2BADORA1ADORA3
	SCHEMBL1553479	0.86	ADORA2A (0.72)	ADORA2AADORA2BADORA1ADORA3
	SCHEMBL3456329	0.86	ADORA2A (0.72)	ADORA2AADORA2BADORA1ADORA3
	SCHEMBL3457193	0.86	ADORA2A (0.66)	ADORA2AADORA2BADORA1ADORA3HDAC1
	SCHEMBL1553964	0.85	ADORA2A (0.71)	ADORA2AADORA2BADORA1ADORA3

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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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.

“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.