SCHEMBL20485177

SCHEMBL20485177

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)O)C(=O)CF

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.49
▸ XIAP P98170 4/20 0.48
▸ OPRK1 P41145 6/20 0.47
▸ EPHA2 P29317 2/20 0.47
▸ F2 P00734 1/20 0.46
▸ OPRD1 P41143 1/20 0.45

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
SCHEMBL20485174 1.00 OPRM1 (0.49) OPRM1XIAPOPRK1EPHA2F2
SCHEMBL20485176 1.00 OPRM1 (0.49) OPRM1XIAPOPRK1EPHA2F2
SCHEMBL18619636 0.91 MALT1 (0.55) OPRM1OPRK1EPHA2F2
SCHEMBL18619514 0.90 ACE (0.48) OPRM1
SCHEMBL20485183 0.88 MALT1 (0.43) OPRM1OPRK1F2OPRD1
SCHEMBL20485185 0.88 MALT1 (0.43) OPRM1OPRK1F2OPRD1
SCHEMBL20485181 0.88 MALT1 (0.43) OPRM1OPRK1F2OPRD1
SCHEMBL20484562 0.85 OPRM1 (0.43) OPRM1OPRK1
SCHEMBL20484560 0.85 OPRM1 (0.43) OPRM1OPRK1
SCHEMBL20484563 0.85 OPRM1 (0.43) OPRM1OPRK1

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-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
US-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University Cornell Center for Technology Enterprise & Commercialization (CCTEC) (US) 2018-09-06 — — 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-20180251489-A1 MALT1 INHIBITORS AND USES THEREOF MALT1, BCL3, BCL6 OPRM1 4510/4885XIAP 117/4885OPRK1 4587/4885

“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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