SCHEMBL19221849

SCHEMBL19221849

CCC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ CALCR P30988 5/20 0.52
▸ GLP1R P43220 4/20 0.52
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ APLNR P35414 2/20 0.48
▸ RAMP1 O60894 1/20 0.47
▸ RAMP2 O60895 1/20 0.47
▸ RAMP3 O60896 1/20 0.47
▸ CALCRL Q16602 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GCGR P47871 3/20 0.46

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL18888624 0.94 C5AR1 (0.60) C5AR1CALCRGLP1RMC4RMC5R
SCHEMBL19221754 0.94 C5AR1 (0.56) C5AR1CALCRGLP1RMC4RMC5R
SCHEMBL18888623 0.90 C5AR1 (0.58) C5AR1CALCRGLP1RMC4RMC5R
SCHEMBL18888799 0.89 C5AR1 (0.60) C5AR1CALCRGLP1RMC4RRAMP1
SCHEMBL19221756 0.88 C5AR1 (0.52) C5AR1CALCRGLP1RMC4RMC5R
SCHEMBL21318133 0.88 CALCR (0.62) C5AR1CALCRGLP1RCRHR1CRHR2
SCHEMBL23895419 0.87 C5AR1 (0.47) C5AR1CALCRGLP1RCRHR1CRHR2
SCHEMBL18888801 0.85 C5AR1 (0.60) C5AR1CALCRGLP1RMC4RRAMP1
SCHEMBL18888496 0.84 C5AR1 (0.58) C5AR1CALCRGLP1RMC4RMC5R
Forigerimod SCHEMBL29382270 0.83 CRHR1 (0.67) C5AR1CALCRGLP1RCRHR1CRHR2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226167-A1 MODIFIED PEPTIDES AND THEIR USE FOR TREATING AUTOIMMUNE DISEASES IMMUPHARMA FRANCE SA (FR) 2017-08-10 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170226167-A1 MODIFIED PEPTIDES AND THEIR USE FOR TREATING AUTOIMMUNE DISEASES PTMS, IAPP, VIP C5AR1 1320/4885CALCR 796/4885GLP1R 13/4885

“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.

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