SCHEMBL16629871

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
	SCHEMBL23888635	0.84	CYP3A4 (0.44)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL8865877	0.80	CYP3A4 (0.45)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL38661913	0.78	CYP3A4 (0.44)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL4196024	0.78	CYP3A4 (0.44)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL4911914	0.77	NOS2 (0.42)	CYP3A4NFKB1BLMADRA2AADRA1A
	SCHEMBL3724966	0.77	NOS2 (0.42)	CYP3A4NFKB1BLMADRA2AADRA1A
	SCHEMBL6321507	0.77	NOS2 (0.42)	CYP3A4NFKB1BLMADRA2AADRA1A
	SCHEMBL1439436	0.76	PDCD1LG2 (0.42)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL1439439	0.76	PDCD1LG2 (0.42)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
	SCHEMBL29337164	0.76	TAAR1 (0.43)	CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 9 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 (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.

“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.