SCHEMBL19780604

SCHEMBL19780604

CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.52
▸ AGTR1 P30556 3/20 0.52
▸ EPHA2 P29317 2/20 0.50
▸ APLNR P35414 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ F2 P00734 4/20 0.49
▸ NTSR1 P30989 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ CALCR P30988 1/20 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
SCHEMBL19780600 1.00 C5AR1 (0.52) C5AR1AGTR1EPHA2APLNRAGTR2
SCHEMBL17274190 0.97 C5AR1 (0.51) C5AR1AGTR1EPHA2APLNRAGTR2
SCHEMBL17287126 0.97 C5AR1 (0.51) C5AR1AGTR1EPHA2APLNRAGTR2
SCHEMBL18699989 0.93 AGTR1 (0.51) C5AR1AGTR1AGTR2F2NTSR1
SCHEMBL18699890 0.93 C5AR1 (0.49) C5AR1AGTR1EPHA2APLNRAGTR2
SCHEMBL17287131 0.93 AGTR1 (0.51) C5AR1AGTR1EPHA2APLNRAGTR2
SCHEMBL17274210 0.90 AGTR1 (0.49) C5AR1AGTR1APLNRAGTR2F2
SCHEMBL17287128 0.90 AGTR1 (0.49) C5AR1AGTR1APLNRAGTR2F2
SCHEMBL17274223 0.90 AGTR1 (0.49) C5AR1AGTR1APLNRAGTR2F2
SCHEMBL18699899 0.89 AGTR1 (0.56) C5AR1AGTR1EPHA2APLNRAGTR2

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-20180016301-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2018-01-18 — — 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-20180016301-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 C5AR1 1182/4885AGTR1 98/4885EPHA2 1306/4885

“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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