SCHEMBL9880255

SCHEMBL9880255

CC(C)c1[nH]c2nccn2c(=O)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 14/20 0.35
PDE2A O00408 1/20 0.30
PDE6D O43924 1/20 0.30
PDE8A O60658 1/20 0.30
PDE5A O76074 1/20 0.30
PDE9A O76083 1/20 0.30
PDE8B O95263 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE4A P27815 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE6H Q13956 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
SCHEMBL14107738 0.76
SCHEMBL14006979 0.76
SCHEMBL9880254 0.71 TSHR (0.43) KDM5B
SCHEMBL9880257 0.69 LMNA (0.32) KDM5B
SCHEMBL9880253 0.69 KDM5B (0.33) KDM5B
SCHEMBL6713740 0.66 ALDH1A1 (0.45) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL9880251 0.66 KDM4E (0.42)
SCHEMBL23295638 0.65 KDM4E (0.46) KDM5BPDE2APDE6DPDE8APDE5A
SCHEMBL10809784 0.65 FEN1 (0.54) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL18772744 0.65 KDM5B (0.38) KDM5BPDE2APDE6DPDE8APDE5A

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 6 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
US-8084460-B2 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2011-12-27 US disclosed
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2009-08-13 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-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE HRH2, GPR27, HRH4 KDM5B 2593/4885PDE2A 1039/4885PDE6D 401/4885
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative HRH2, GPR27, HRH4 KDM5B 2593/4885PDE2A 1039/4885PDE6D 401/4885

“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.