SCHEMBL9880249

SCHEMBL9880249

CC(C)c1[nH]c2c3ccccc3cn2c(=O)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM5B Q9UGL1 2/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL9880257 0.69 LMNA (0.32) ALDH1A1L3MBTL1ADORA3KDM5BLMNA
SCHEMBL22623683 0.68 BRD4 (0.43) ALDH1A1L3MBTL1ALOX5ADORA3LMNA
SCHEMBL9880268 0.67 HSD17B10 (0.35) ALDH1A1L3MBTL1ALOX5ADORA3ADORA2A
SCHEMBL9880250 0.67 CDC25B (0.50) ALDH1A1ADORA3KDM5BLMNAKDM4E
SCHEMBL14597253 0.66 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNAKDM4EGLA
SCHEMBL5801391 0.66 CDC25B (0.41) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL26309842 0.66 ADRA2A (0.31)
SCHEMBL17344795 0.65 KIF11 (0.46) ALDH1A1L3MBTL1LMNAKDM4EHPGD
SCHEMBL10280325 0.64 CCNB2 (0.56) ALDH1A1L3MBTL1LMNAKDM4EGLA
SCHEMBL30234429 0.64 CCNB2 (0.56) ALDH1A1L3MBTL1LMNAKDM4EGLA

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 ALDH1A1 937/4885L3MBTL1 2621/4885ALOX5 78/4885
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative HRH2, GPR27, HRH4 ALDH1A1 937/4885L3MBTL1 2621/4885ALOX5 78/4885

“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.