SCHEMBL14930602

SCHEMBL14930602

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.55
▸ AGTR1 P30556 2/20 0.55
▸ NTSR1 P30989 5/20 0.53
▸ NTSR2 O95665 3/20 0.53
▸ OXTR P30559 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ SORT1 Q99523 2/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ CALCRL Q16602 1/20 0.49
▸ F2 P00734 1/20 0.49

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
SCHEMBL25845603 0.94 NTSR1 (0.54) NTSR1NTSR2OXTRSLC6A2NPY2R
SCHEMBL25846293 0.94 NTSR1 (0.54) NTSR1NTSR2OXTRSLC6A2NPY2R
SCHEMBL25845887 0.93 OPRD1 (0.56) NTSR1NTSR2SLC6A2CALCRLF2
SCHEMBL25845492 0.90 NTSR1 (0.54) NTSR1NTSR2OXTRSLC6A2NPY1R
SCHEMBL25845490 0.90 SLC6A2 (0.55) AGTR2AGTR1NTSR1NTSR2OXTR
SCHEMBL25845686 0.86 NMBR (0.58) NPY1RNPY2RNPY4RNPY5RF2
SCHEMBL14930600 0.86 NMBR (0.58) NPY1RNPY2RNPY4RNPY5RF2
SCHEMBL14930601 0.86 NMBR (0.58) NPY1RNPY2RNPY4RNPY5RF2
SCHEMBL31233911 0.82 SLC6A2 (0.63) AGTR2AGTR1NTSR1NTSR2SLC6A2
SCHEMBL31233798 0.82 SLC6A2 (0.63) AGTR2AGTR1NTSR1NTSR2SLC6A2

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-20130116404-A1 TARGETED NON-INVASIVE IMAGING PROBES OF EGFR EXPRESSING CELLS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-09 — — 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-20130116404-A1 TARGETED NON-INVASIVE IMAGING PROBES OF EGFR EXPRESSING CELLS EGFR, ERBB2, ERBB3 AGTR2 1365/4885AGTR1 1125/4885NTSR1 265/4885

“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