SCHEMBL4594010

SCHEMBL4594010

COC(=O)CC1(C[N+](=O)[O-])CCN(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 5/20 0.45
CYP3A4 P08684 3/20 0.45
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28278741 0.95 CYP2D6 (0.47) CYP2D6ALDH1A1TSHRCYP3A4MMP1
SCHEMBL13202558 0.90 SIGMAR1 (0.50) CYP2D6ALDH1A1TSHRCYP3A4LMNA
SCHEMBL4535659 0.87 CYP2D6 (0.45) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL2694056 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1TSHRCYP3A4MMP1
SCHEMBL17087162 0.76 ALDH1A1 (0.43) CYP2D6ALDH1A1TSHRCYP3A4MMP1
SCHEMBL2206046 0.75 SIGMAR1 (0.59) CYP2D6ALDH1A1CYP3A4LMNAHTT
SCHEMBL13688322 0.75 SIGMAR1 (0.49) CYP2D6ALDH1A1CYP3A4LMNAHTT
SCHEMBL334893 0.75 TSHR (0.55) CYP2D6ALDH1A1TSHRCYP3A4MMP1
SCHEMBL1776421 0.74 CYP2D6 (0.45) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL16311762 0.74 ALDH1A1 (0.45) CYP2D6ALDH1A1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US disclosed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US disclosed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP disclosed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO disclosed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO 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-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses COASY, FURIN, PEPD CYP2D6 30/4885ALDH1A1 1149/4885TSHR 4554/4885

“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.