SCHEMBL13145229

SCHEMBL13145229

CN[C@H](CC1CCCCC1)C(=O)NC(CCc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC1C=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.47
▸ OPRK1 P41145 9/20 0.47
▸ MMP3 P08254 5/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ MMP1 P03956 4/20 0.43
▸ OPRD1 P41143 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ C5AR1 P21730 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.41
▸ NMUR2 Q9GZQ4 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.41
▸ F2R P25116 1/20 0.40
▸ MMP9 P14780 1/20 0.40

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
SCHEMBL13144377 0.97 OPRM1 (0.48) OPRM1OPRK1MMP3MMP2MMP1
SCHEMBL13144883 0.91 OPRM1 (0.51) OPRM1OPRK1OPRD1NMUR2NMUR1
SCHEMBL13144630 0.91 C5AR1 (0.50) OPRM1OPRK1C5AR1IL23R
SCHEMBL13144633 0.89 OPRM1 (0.43) OPRM1OPRK1C5AR1IL23RNMUR2
SCHEMBL13144378 0.89 IL23R (0.53) C5AR1IL23R
SCHEMBL13145221 0.89 OPRM1 (0.48) OPRM1OPRK1OPRD1NMUR2NMUR1
SCHEMBL13478161 0.87 OPRM1 (0.48) OPRM1OPRK1OPRD1NMUR2NMUR1
SCHEMBL13478172 0.85 OPRM1 (0.54) OPRM1OPRK1NMUR2NMUR1
SCHEMBL13144534 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1
SCHEMBL13144373 0.84 CXCL8 (0.49) C5AR1IL23R

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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS PROMICS PTY LIMITED (AU) 2010-10-21 — — 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-20100267639-A1 TREATMENT OF OSTEOARTHRITIS C5AR2, C5AR1, C3AR1 OPRM1 254/4885OPRK1 267/4885MMP3 762/4885

“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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