SCHEMBL17451635

SCHEMBL17451635

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)C(CCCCN)NC(=O)[C@@H](NC(=O)C(CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.55
▸ CALCR P30988 4/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ CXCR4 P61073 2/20 0.51
▸ F2 P00734 3/20 0.49
▸ SLC40A1 Q9NP59 1/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ NPY4R P50391 6/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NPY1R P25929 4/20 0.49
▸ C5AR1 P21730 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48

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
SCHEMBL17451637 0.94 APLNR (0.50) APLNRCALCRHCRTR1HCRTR2CXCR4
SCHEMBL17451633 0.94 APLNR (0.52) APLNRCALCRHCRTR1HCRTR2CXCR4
SCHEMBL17451638 0.93 APLNR (0.52) APLNRCALCRHCRTR1HCRTR2CXCR4
SCHEMBL29706466 0.90 MAPK8 (0.58) APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL30688070 0.88 MAPK8 (0.60) APLNRCALCRCXCR4F2NPY2R
SCHEMBL31691539 0.87 APLNR (0.61) APLNRCALCRCXCR4F2SLC40A1
SCHEMBL29767745 0.86 CALCR (0.63) APLNRCALCRHCRTR1HCRTR2CXCR4
SCHEMBL30008485 0.86 CALCR (0.62) APLNRCALCRHCRTR1HCRTR2CXCR4
SCHEMBL30688082 0.85 EPHA2 (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31691514 0.85 APLNR (0.62) APLNRCALCRHCRTR1HCRTR2CXCR4

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-20160016998-A1 HIGH-AFFINITY MATRIPTASE INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — 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-20160016998-A1 HIGH-AFFINITY MATRIPTASE INHIBITORS MMP7, MATR3, TMPRSS15 APLNR 182/4885CALCR 3150/4885HCRTR1 3828/4885

“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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