SCHEMBL3602618

SCHEMBL3602618

COc1cnc2ccc(Cl)c(OCC(O)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.41
SIGMAR1 Q99720 2/20 0.36
KCNH2 Q12809 3/20 0.36
SLC2A1 P11166 1/20 0.36
MAPT P10636 1/20 0.35
DRD4 P21917 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2821729 0.81 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL2821724 0.81 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL3621094 0.81 KCNH2 (0.44) CYP2D6KCNH2SLC2A1
SCHEMBL3551285 0.80 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3621089 0.78 KCNH2 (0.47) KCNH2
SCHEMBL910443 0.77 KCNH2 (0.39) CYP2D6KCNH2
SCHEMBL910445 0.77 KCNH2 (0.39) CYP2D6KCNH2
SCHEMBL910080 0.77 KCNH2 (0.39) CYP2D6KCNH2
SCHEMBL4429997 0.77 KCNH2 (0.33) SIGMAR1KCNH2SLC2A1MEN1KMT2A
SCHEMBL909967 0.74 KCNH2 (0.45) CYP2D6KCNH2SLC2A1ALDH1A1USP2

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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS CYP2D6 1687/4885SIGMAR1 211/4885KCNH2 2914/4885

“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.