SCHEMBL31754008

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	9/20	0.63

▸	GCGR	P47871	5/20	0.61

▸	GIPR	P48546	5/20	0.61

▸	NPY2R	P49146	5/20	0.60

▸	NPY4R	P50391	5/20	0.60

▸	NPY5R	Q15761	5/20	0.60

▸	NPY1R	P25929	3/20	0.60

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

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
SCHEMBL30999376	0.98	CALCR (0.68)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30476083	0.93	CALCR (0.69)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL29530680	0.90	CALCR (0.67)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30646299	0.90	MAPK8 (0.63)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL29416036	0.90	MAPK8 (0.63)	CALCRGLP1RGCGRGIPRNPY1R
SCHEMBL31182639	0.89	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729	0.89	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30578734	0.89	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30578733	0.89	CALCR (0.73)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL29562124	0.89	NPY2R (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R

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-12509696-B2	Methods and composition for transferring T-DNA into a plant	PURDUE RESEARCH FOUNDATION (US)	2025-12-30	—	—	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-12509696-B2	Methods and composition for transferring T-DNA into a plant	AMPD2, MYB, TOMM22	CALCR 3069/4885GLP1R 3909/4885GCGR 4592/4885

“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.