SCHEMBL9880274

SCHEMBL9880274

CC(=O)N1CC(C(C)C)(C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
PIK3CD O00329 1/20 0.39
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRNB4 P30926 2/20 0.32
NOTUM Q6P988 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRNA7 P36544 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL12259478 0.82 PIK3CD (0.38) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E
SCHEMBL12894759 0.79 CYP2D6 (0.41) SMN1; SMN2PIK3CDCYP1A2TDP1CYP3A4
SCHEMBL15837585 0.78 SMN1; SMN2 (0.45) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E
SCHEMBL9882851 0.78 SMN1; SMN2 (0.50) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E
SCHEMBL24606655 0.76 MAPT (0.38) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12258778 0.76 PIK3CD (0.45) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E
SCHEMBL23077805 0.76 SMN1; SMN2 (0.43) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E
SCHEMBL2760456 0.74
SCHEMBL23682421 0.73 TET3 (0.33) KMT2A
SCHEMBL18722405 0.73 SMN1; SMN2 (0.41) SMN1; SMN2PIK3CDCYP1A2TDP1KDM4E

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 7 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-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 SMN1; SMN2 1023/4885PIK3CD 4406/4885CYP1A2 459/4885
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative HRH2, GPR27, HRH4 SMN1; SMN2 1023/4885PIK3CD 4406/4885CYP1A2 459/4885

“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.