SCHEMBL12237990

SCHEMBL12237990

CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.47
▸ OPRK1 P41145 11/20 0.47
▸ CAPN1 P07384 5/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ APLNR P35414 1/20 0.43
▸ CXCR4 P61073 1/20 0.42

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
SCHEMBL16338735 1.00 OPRM1 (0.47) OPRM1OPRK1CAPN1GRB2APLNR
SCHEMBL17210470 0.97 OPRM1 (0.49) OPRM1OPRK1APLNRCXCR4
SCHEMBL12261069 0.94 GRB2 (0.50) OPRM1OPRK1CAPN1GRB2CXCR4
SCHEMBL14227389 0.94 GRB2 (0.50) OPRM1OPRK1CAPN1GRB2CXCR4
SCHEMBL12899266 0.94 GRB2 (0.50) OPRM1OPRK1CAPN1GRB2CXCR4
SCHEMBL13084631 0.94 GRB2 (0.50) OPRM1OPRK1CAPN1GRB2CXCR4
SCHEMBL12237919 0.94 GRB2 (0.50) OPRM1OPRK1CAPN1GRB2CXCR4
SCHEMBL12899371 0.93 OPRM1 (0.44) OPRM1OPRK1CAPN1GRB2APLNR
SCHEMBL12314900 0.93 OPRM1 (0.44) OPRM1OPRK1CAPN1GRB2APLNR
SCHEMBL1247799 0.91 OPRM1 (0.48) OPRM1OPRK1GRB2CXCR4

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-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2011-10-27 — — US disclosed
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2011-10-27 — — 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-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE VCAM1, FLT1, EDNRA OPRM1 1803/4885OPRK1 1592/4885CAPN1 1439/4885

“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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