SCHEMBL3227028

SCHEMBL3227028

C[N+]1(Cc2ccccc2)CC2C(CNC(=O)C(O)(c3ccccc3)c3ccc(F)cc3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38
ERBB2 P04626 1/20 0.38
PRKCG P05129 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
CDK2 P24941 1/20 0.38
AXL P30530 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PRKCI P41743 1/20 0.38
SYK P43405 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL3210004 0.90 CHRM2 (0.41) CCR1CACNA1GCNR1CNR2CHRM2
SCHEMBL3201433 0.87 SMN1; SMN2 (0.39) CCR1CNR1CNR2CHRM2CHRM3
SCHEMBL3226484 0.81 CHRM3 (0.44) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL4142836 0.81 PLK4 (0.44) PLK4DAPK3RPS6KA5MAP4K4ERBB2
SCHEMBL4142833 0.81 PLK4 (0.44) PLK4DAPK3RPS6KA5MAP4K4ERBB2
SCHEMBL3213561 0.79 CHRM3 (0.46) CHRM2CHRM3CHRM1
SCHEMBL5099416 0.79 CACNA1G (0.46) CACNA1G
SCHEMBL4149372 0.79 CACNA1G (0.46) CACNA1G
SCHEMBL3213227 0.76 CHRM2 (0.47) CHRM2CHRM3CHRM1HRH1KCNH2
SCHEMBL3220489 0.74 CHRM2 (0.52) CHRM2CHRM3CHRM1HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP claimed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 PLK4 3868/4885DAPK3 4372/4885RPS6KA5 4078/4885

“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.