SCHEMBL9880258

SCHEMBL9880258

CC(C)c1c(C(C)C)n2c3cnccc3nc2n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
PDE2A O00408 4/20 0.34
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AOC3 Q16853 2/20 0.32
PDE4D Q08499 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM5B Q9UGL1 2/20 0.31
GSR P00390 2/20 0.31
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9880269 0.83 NPSR1 (0.45) NPSR1HSD17B10MAPT
SCHEMBL20929588 0.69 MEN1 (0.47) PDE2AHSD17B10PDE4DPDE11APDE10A
SCHEMBL18805394 0.68 PDE2A (0.45) PDE2AAOC3PDE4DPDE11APDE10A
SCHEMBL11946718 0.67 AAK1 (0.42) PDE2AAOC3MAPTS1PR1ATM
SCHEMBL18691767 0.65 ALDH1A1 (0.53) BRD4PDE2AHSD17B10AOC3PDE4D
SCHEMBL9880260 0.63 KDM5B (0.31) KDM5B
SCHEMBL25617163 0.62 TOP2A (0.37) HSD17B10MAPTATM
SCHEMBL22016213 0.62 MAPT (0.40) MAPT
SCHEMBL17570864 0.62 MEN1 (0.50) PDE2AHSD17B10PDE10AGSRMAPT
SCHEMBL17570839 0.62 MEN1 (0.50) PDE2AHSD17B10PDE10AGSRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46375-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-25 US disclosed
US-RE46365-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-11 US disclosed
US-8536192-B2 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO. LTD. (JP) 2013-09-17 US disclosed
US-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE SHIONOGI & CO., LTD. 2012-05-31 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-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE HRH2, GPR27, HRH4 BRD4 2487/4885PDE2A 1039/4885NPSR1 918/4885

“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.