SCHEMBL20072405

SCHEMBL20072405

BC1CCN(C(C)CCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
UBE2M P61081 13/20 0.34
DCUN1D1 Q96GG9 13/20 0.34
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL21397761 0.83 HRH3 (0.41) OPRM1OPRL1
SCHEMBL25090277 0.81 OPRM1 (0.36) OPRM1OPRL1UBE2MDCUN1D1SIGMAR1
SCHEMBL25447572 0.81 SIGMAR1 (0.46) OPRM1OPRL1UBE2MDCUN1D1SIGMAR1
SCHEMBL19630484 0.79 KDM4E (0.38) OPRM1OPRL1UBE2MDCUN1D1
SCHEMBL11573468 0.79
SCHEMBL27255377 0.78
SCHEMBL24755103 0.76 GNAI3 (0.44) OPRM1OPRL1UBE2MDCUN1D1
SCHEMBL23733428 0.76 HRH3 (0.37) UBE2MDCUN1D1
SCHEMBL22332273 0.76 CYP2D6 (0.41) OPRM1OPRL1UBE2MDCUN1D1
SCHEMBL21150667 0.75 SIGMAR1 (0.39) OPRM1OPRL1UBE2MDCUN1D1SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512852-B1 TRAF 6 INHIBITORS HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-26 EP disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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 (2 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 OPRM1 3425/4885OPRL1 2623/4885UBE2M 1849/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 OPRM1 3581/4885OPRL1 2904/4885UBE2M 2098/4885

“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.