SCHEMBL4535659

SCHEMBL4535659

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM3 P20309 1/20 0.44
OPRL1 P41146 1/20 0.43
CCR3 P51677 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4594010 0.87 CYP2D6 (0.47) CYP2D6CYP3A4TSHRALDH1A1MAPT
SCHEMBL13202558 0.86 SIGMAR1 (0.50) CYP2D6CYP3A4TSHRKDM4EALDH1A1
SCHEMBL2524338 0.83 CYP2D6 (0.57) CYP2D6CYP3A4TSHRALDH1A1CHRM2
SCHEMBL28278741 0.82 CYP2D6 (0.47) CYP2D6CYP3A4TSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4481783 0.82 POLB (0.58) CYP2D6CYP3A4TSHRALDH1A1CHRM2
SCHEMBL484761 0.78 NPFFR1 (0.53) CYP2D6CYP3A4TSHRALDH1A1CHRM2
SCHEMBL1776421 0.77 CYP2D6 (0.45) CYP2D6CYP3A4TSHRKDM4EALDH1A1
SCHEMBL9233103 0.75 POLB (0.58) CYP3A4KDM4EALDH1A1MAPTOPRL1
SCHEMBL23067598 0.75 CYP2D6 (0.49) CYP2D6CYP3A4TSHRALDH1A1CHRM2
SCHEMBL4023771 0.73 OPRL1 (0.59) CYP2D6CYP3A4TSHRALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 30/4885CYP3A4 25/4885TSHR 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.