SCHEMBL13234141

SCHEMBL13234141

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N/O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.53
▸ NTSR1 P30989 7/20 0.51
▸ APLNR P35414 1/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ NTSR2 O95665 4/20 0.50
▸ SORT1 Q99523 3/20 0.48
▸ GLP1R P43220 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ CALCR P30988 2/20 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
SCHEMBL13234130 0.89 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL13234135 0.88 AGTR1 (0.59) AGTR1AGTR2CALCR
SCHEMBL13234131 0.88 AGTR1 (0.59) NTSR1AGTR1AGTR2CALCR
SCHEMBL13234138 0.87 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL13264037 0.85 AGTR1 (0.56) NTSR1AGTR1AGTR2CALCR
SCHEMBL13197589 0.84 AGTR1 (0.62) AGTR1AGTR2CALCR
SCHEMBL29973608 0.83 C5AR1 (0.61) F2NTSR1APLNRC5AR1NTSR2
SCHEMBL29359023 0.82 AGTR2 (0.66) F2NTSR1APLNRC5AR1NTSR2
SCHEMBL31544391 0.82 AGTR1 (0.62) F2NTSR1APLNRC5AR1NTSR2
SCHEMBL11023119 0.82 AGTR1 (0.61) F2NTSR1APLNRC5AR1NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763234-B2 Pharmaceutical compounds GE HEALTHCARE AS (NO) 2010-07-27 — — US disclosed
US-20070297979-A1 Pharmaceutical Compounds GE HEALTHCARE AS (NO) 2007-12-27 — — 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-20070297979-A1 Pharmaceutical Compounds FURIN, ACE, PEPD F2 97/4885NTSR1 804/4885APLNR 360/4885

“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.

Send feedback