SCHEMBL29872608

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCSC)NC(C)=O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.75

▸	TFPI	P10646	4/20	0.69

▸	CRHR1	P34998	1/20	0.69

▸	CRHR2	Q13324	1/20	0.69

▸	GLP1R	P43220	3/20	0.67

▸	GCGR	P47871	3/20	0.67

▸	NPY2R	P49146	6/20	0.66

▸	NPY4R	P50391	6/20	0.66

▸	NPY5R	Q15761	6/20	0.66

▸	NPY1R	P25929	4/20	0.66

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
SCHEMBL29873387	0.98	CALCR (0.72)	CALCRTFPICRHR1CRHR2GLP1R
SCHEMBL30423615	0.91	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RGCGR
Human Neuropeptide Y SCHEMBL29523348	0.91	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29377468	0.91	CALCR (0.73)	CALCRTFPICRHR1CRHR2GLP1R
SCHEMBL29767063	0.91	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29975560	0.91	NPY2R (0.69)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29570760	0.91	NPY2R (0.69)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29724187	0.90	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL8816036	0.90	CALCR (0.75)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30932066	0.90	CALCR (0.77)	CALCRCRHR1CRHR2GLP1RGCGR

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-11428694-B2	Detection methods employing HCV core lipid and DNA binding domain monoclonal antibodies	ABBOTT LABORATORIES (US)	2022-08-30	—	—	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-11428694-B2	Detection methods employing HCV core lipid and DNA binding domain monoclonal antibodies	CD2BP2, HAVCR2, FABP1	CALCR 3413/4885TFPI 4438/4885CRHR1 4467/4885

“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.