SCHEMBL2382220

SCHEMBL2382220

O=C(O)N1CCC(NC2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 6/20 0.47
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.44
OPRK1 P41145 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL5196778 0.98 THRB (0.59) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL5195425 0.98 THRB (0.59) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL2383165 0.96 THRB (0.51) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL1308573 0.91 THRB (0.46) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL671290 0.90 THRB (0.51) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL4112587 0.90 THRB (0.51) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL4114698 0.88 THRB (0.54) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL5202228 0.88 THRB (0.54) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL4122335 0.86 THRB (0.47) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL18428929 0.82 THRB (0.40) THRBATML3MBTL1EPHX2EPHX1

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-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US disclosed
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 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-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S THRB 1316/4885ATM 2453/4885L3MBTL1 3228/4885
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A THRB 1389/4885ATM 4472/4885L3MBTL1 3788/4885

“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.