SCHEMBL29636950

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

nearest known ligand 0.77

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.72

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	GLP1R	P43220	3/20	0.61

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	OPRM1	P35372	1/20	0.60

▸	OPRD1	P41143	1/20	0.60

▸	OPRK1	P41145	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
SCHEMBL29356926	0.99	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31332022	0.99	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL6238339	0.99	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662997	0.97	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11667572	0.97	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11667495	0.97	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660011	0.96	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11656995	0.96	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662240	0.96	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11663083	0.96	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R

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-20220153779-A1	COMPOSITIONS AND METHODS FOR MODIFICATION OF TARGET MOLECULES	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA	2022-05-19	—	—	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-20220153779-A1	COMPOSITIONS AND METHODS FOR MODIFICATION OF TARGET MOLECULES	COMT, TH, AOX1	CALCR 3731/4885CRHR1 4241/4885CRHR2 4294/4885

“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.