SCHEMBL8353949

SCHEMBL8353949

CNC(=O)C1CCC(OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK8 P45983 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL15386511 1.00 ADORA3 (0.41) ADORA3HSD17B10MAPK8MAPK10CHRNB2
SCHEMBL5909567 0.83 CHRNB2 (0.50) HSD17B10CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL103880 0.83 — —
Hydrochloric Acid SCHEMBL30714958 0.81 — —
SCHEMBL17506514 0.81 CHRNB2 (0.38) HSD17B10CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL15387078 0.81 CHRNB2 (0.38) HSD17B10CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL30622698 0.81 ADORA3 (0.40) ADORA3HSD17B10MAPK8MAPK10OPRM1
SCHEMBL24920450 0.80 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20300465 0.80 TP53 (0.46) HSD17B10CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL18367816 0.80 TP53 (0.46) HSD17B10CHRNB2CHRNA4CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116916924-A MALT1 modulators and uses thereof 稀有生物科学股份有限公司 2023-10-20 — — CN disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 — — US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 — — EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 — — WO disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 — — US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 — — US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 — — US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 — — US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 — — WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ADORA3 1060/4885HSD17B10 2557/4885MAPK8 2385/4885

“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.

Send feedback