SCHEMBL29706332

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.73

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	HCRTR1	O43613	1/20	0.66

▸	HCRTR2	O43614	1/20	0.66

▸	CCKBR	P32239	2/20	0.64

▸	GLP1R	P43220	2/20	0.64

▸	RAMP1	O60894	1/20	0.64

▸	RAMP2	O60895	1/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	CALCRL	Q16602	1/20	0.64

▸	F2	P00734	2/20	0.64

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

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
SCHEMBL29706213	0.98	CALCR (0.74)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29706374	0.97	CALCR (0.73)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29706208	0.93	CALCR (0.70)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30063048	0.92	CALCR (0.75)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29783623	0.92	CALCR (0.75)	CALCRCRHR1CRHR2CCKBRGLP1R
SCHEMBL29783622	0.92	CALCR (0.75)	CALCRCRHR1CRHR2CCKBRGLP1R
SCHEMBL29812571	0.92	CALCR (0.71)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598167	0.92	CALCR (0.69)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598185	0.92	CALCR (0.74)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30001479	0.91	CALCR (0.80)	CALCRCRHR1CRHR2HCRTR1HCRTR2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230416329-A1	A PEPTIDE WITH DISULFIDE BONDS AND INHIBITORY ACTIVITY AGAINST SERINE PROTEASES, DERIVED HYBRID PEPTIDES THEREOF, AND USES THEREOF	INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN)	2023-12-28	—	—	US	disclosed
CN-116615436-A	Disulfide bond-containing polypeptide with serine protease activity inhibiting function, hybrid peptide derived from disulfide bond-containing polypeptide and application of disulfide bond-containing polypeptide	中国医学科学院药物研究所	2023-08-18	—	—	CN	disclosed
WO-2022111713-A9	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2023-07-27	—	—	WO	disclosed
CN-114573686-A	Polypeptide containing disulfide bond and having serine protease activity inhibition function and application thereof	中国医学科学院药物研究所	2022-06-03	—	—	CN	disclosed
WO-2022111713-A1	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2022-06-02	—	—	WO	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-20230416329-A1	A PEPTIDE WITH DISULFIDE BONDS AND INHIBITORY ACTIVITY AGAINST SERINE PROTEASES, DERIVED HYBRID PEPTIDES THEREOF, AND USES THEREOF	VIP, SI, TMPRSS15	CALCR 2656/4885CRHR1 2919/4885CRHR2 3053/4885

“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.