SCHEMBL5652929

SCHEMBL5652929

CCCC(N)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.49
OPRD1 P41143 14/20 0.49
OPRK1 P41145 14/20 0.49
OPRL1 P41146 14/20 0.49
PNMT P11086 1/20 0.46
GBA1 P04062 1/20 0.45
AOC3 Q16853 1/20 0.44

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
SCHEMBL16692504 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL23222060 0.86 AOC3 (0.40) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL499546 0.85 TAAR1 (0.47) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL8037342 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL5101972 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL16649685 0.85 TAAR1 (0.47) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL1974847 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL25269085 0.83 PNMT (0.47) OPRM1OPRD1OPRK1OPRL1PNMT
Hydrochloric Acid SCHEMBL23527440 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
Hydrochloric Acid SCHEMBL4535082 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 US disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 US disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB OPRM1 4210/4885OPRD1 3431/4885OPRK1 2645/4885

“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.