SCHEMBL18239361

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN=[N+]=[N-])[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	AKT1	P31749	1/20	0.54

▸	GLP1R	P43220	4/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	CCKBR	P32239	1/20	0.52

▸	RAMP3	O60896	7/20	0.52

▸	CALCR	P30988	7/20	0.52

▸	ECE1	P42892	1/20	0.51

▸	MUS81	Q96NY9	1/20	0.51

▸	CXCR4	P61073	4/20	0.49

▸	GHSR	Q92847	2/20	0.49

▸	NPY2R	P49146	1/20	0.49

▸	PTH1R	Q03431	1/20	0.49

▸	VIPR1	P32241	1/20	0.49

▸	VIPR2	P41587	1/20	0.49

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.

Compound	similarity	top predicted	shared targets
SCHEMBL21168599	0.80	GLP1R (0.52)	AKT1GLP1RGCGR
SCHEMBL22550645	0.77	PLG (0.57)	GLP1R
SCHEMBL17209334	0.75	PLCG1 (0.44)	AKT1RAMP3CALCR
SCHEMBL17209387	0.75	PLCG1 (0.44)	AKT1RAMP3CALCR
SCHEMBL22423719	0.75	RAMP3 (0.56)	GLP1RGCGRRAMP3CALCR
SCHEMBL24220346	0.74	FOLH1 (0.54)	CXCR4
SCHEMBL29349772	0.74	NR3C1 (0.68)	GLP1RCCKBRECE1MUS81PTH1R
SCHEMBL31332127	0.73	AKT1 (0.54)	AKT1
SCHEMBL22550672	0.73	GLP1R (0.54)	GLP1RGCGRCCKBRRAMP3CALCR
SCHEMBL22802863	0.73	PLG (0.54)	GLP1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20160331800-A1	BOTULINUM NEUROTOXIN-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING	REGENERON PHARMACEUTICALS, INC.	2016-11-17	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20160331800-A1	BOTULINUM NEUROTOXIN-SPECIFIC CAPTURE AGENTS, COMPOSITIONS, AND METHODS OF USING AND MAKING	BTD, NPY1R, BTN3A1	AKT1 4575/4885GLP1R 220/4885GCGR 786/4885

“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.