SCHEMBL9880253

SCHEMBL9880253

CC(C)c1[nH]c2cncn2c(=O)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.33
GABRA5 P31644 1/20 0.32
KDM5A P29375 2/20 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
SCHEMBL14006951 0.77
SCHEMBL9880256 0.73 KDM5B (0.33) KDM5BKDM5A
SCHEMBL9880257 0.73 LMNA (0.32) KDM5B
SCHEMBL9880252 0.69 KDM5B (0.35) KDM5BKDM5A
SCHEMBL9880255 0.69 KDM5B (0.35) KDM5B
SCHEMBL9880249 0.63 ALDH1A1 (0.37) KDM5BKDM5A
SCHEMBL9880262 0.62 GABRA5 (0.37) GABRA5
SCHEMBL9880254 0.62 TSHR (0.43) KDM5B
SCHEMBL9880251 0.60 KDM4E (0.42)
SCHEMBL7369654 0.60 PARP1 (0.48) GABRA5

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 2593/4885GABRA5 1350/4885KDM5A 2762/4885
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative HRH2, GPR27, HRH4 KDM5B 2593/4885GABRA5 1350/4885KDM5A 2762/4885

“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.