SCHEMBL1995835

SCHEMBL1995835

CC(C)(C)OC(=O)N1CCC(Cn2nc3ccccc3c2CC(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3R2 O00459 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
PIK3R3 Q92569 1/20 0.46
MERTK Q12866 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
DTYMK P23919 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
BACE1 P56817 1/20 0.42
TGFBR1 P36897 1/20 0.41
GBA1 P04062 2/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL1994772 0.88 KDM4E (0.44) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL1992840 0.82 KDM4E (0.46) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL15897969 0.75 KDM4E (0.51) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL31429443 0.75 KDM4E (0.51) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL23913676 0.74 MAPT (0.53) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL2553864 0.74 KDM4E (0.46) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL5763294 0.74 LMNA (0.49) KDM4EPKMGPR119
SCHEMBL2553563 0.74 KDM4E (0.45) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL31429521 0.73 KDM4E (0.49) KDM4EPKMPIK3CDPIK3R2PIK3CA
SCHEMBL14995622 0.73 KDM4E (0.44) KDM4EPKMPIK3CDPIK3R2PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO KDM4E 3351/4885PKM 833/4885PIK3CD 1764/4885

“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.