SCHEMBL2549334

SCHEMBL2549334

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 5/20 0.57
▸ NTSR1 P30989 5/20 0.57
▸ SORT1 Q99523 5/20 0.57
▸ OPRM1 P35372 7/20 0.56
▸ OPRK1 P41145 6/20 0.56
▸ EPHA2 P29317 2/20 0.54

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
SCHEMBL2549331 1.00 NTSR2 (0.57) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL29886800 0.90 NTSR2 (0.67) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL30436277 0.88 NTSR1 (0.60) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL31738532 0.87 NTSR1 (0.76) NTSR2NTSR1SORT1
SCHEMBL32664435 0.87 NTSR2 (0.58) NTSR2NTSR1SORT1OPRM1
SCHEMBL31114540 0.86 OPRM1 (0.64) NTSR2NTSR1SORT1OPRM1
SCHEMBL31114390 0.86 OPRM1 (0.64) NTSR2NTSR1SORT1OPRM1
SCHEMBL29517091 0.86 OPRM1 (0.54) NTSR2NTSR1SORT1OPRM1
SCHEMBL31692757 0.86 NTSR2 (0.53) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL30906006 0.86 NTSR1 (0.57) NTSR2NTSR1SORT1

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
EP-2114462-B1 Compounds for fluorescence imaging UNIV GENEVE (CH) 2013-06-05 — — EP disclosed
US-20110263975-A1 FLUORESCENT PROBES HAVING A POLYMERIC BACKBONE GE HEALTHCARE AS (NO) 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-20110263975-A1 FLUORESCENT PROBES HAVING A POLYMERIC BACKBONE CD38, ARFGAP1, ADCYAP1R1 NTSR2 1072/4885NTSR1 794/4885SORT1 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.

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