SCHEMBL1017652

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
	SCHEMBL1014590	0.95	PDCD1 (0.39)	PDCD1CD274NPC1RAB9ATLR9
	SCHEMBL1039446	0.92	DPP4 (0.41)	GRM2DPP4DPP8DPP9DPP7
	SCHEMBL1017612	0.90	HRH3 (0.39)	S1PR1NPC1RAB9AGRM2DPP4
	SCHEMBL1016772	0.89	PDCD1 (0.43)	PDCD1CD274NPC1RAB9AGRM5
	SCHEMBL1017973	0.88	DPP4 (0.43)	PDCD1CD274NPC1RAB9ADPP4
	SCHEMBL1016134	0.87	RAB9A (0.43)	PDCD1CD274NPC1RAB9AALDH1A1
	SCHEMBL1603700	0.86	RAB9A (0.46)	PDCD1CD274NPC1RAB9ATLR9
	SCHEMBL1017683	0.85	GRM5 (0.35)	PDCD1CD274NPC1RAB9ADPP4
	SCHEMBL1020117	0.85	GRM5 (0.45)	NPC1RAB9ATLR9TLR8TLR7
	SCHEMBL1020332	0.85	PDCD1 (0.41)	PDCD1CD274NPC1RAB9ADPP4

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 11 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.