SCHEMBL9880269

SCHEMBL9880269

CC(C)c1c(C(C)C)n2c3ccccc3nc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9880258 0.83 BRD4 (0.34) NPSR1HSD17B10MAPT
SCHEMBL26168138 0.80 SMN1; SMN2 (0.42) HSD17B10ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13425228 0.75 GAA (0.55) NPSR1HSD17B10ADORA1KDM4EALDH1A1
SCHEMBL18083287 0.73 SMN1; SMN2 (0.55) NPSR1HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL12071395 0.72 GAA (0.53) NPSR1HSD17B10ADORA1KDM4EALDH1A1
SCHEMBL13317091 0.71 KDM4E (0.47) NPSR1HSD17B10ADORA1KDM4EALDH1A1
SCHEMBL12799837 0.70 ATM (0.53) NPSR1HSD17B10ADORA1KDM4EALDH1A1
SCHEMBL26168268 0.70 TDP1 (0.45) NPSR1HSD17B10ADORA1KDM4EALDH1A1
SCHEMBL12145556 0.70 KDM4E (0.53) HSD17B10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28707608 0.68 KDM4E (0.57) NPSR1KDM4EALDH1A1SMN1; SMN2GAA

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 NPSR1 918/4885HSD17B10 683/4885ADORA1 854/4885

“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.