SCHEMBL339261

SCHEMBL339261

CN1CCC(CC(=O)Nc2nnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)[C@H](Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM4 P08173 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
GALR3 O60755 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL339259 1.00 CHRM3 (0.33) CHRM3SIGMAR1CHRM4TNKSTNKS2
SCHEMBL339260 1.00 CHRM3 (0.33) CHRM3SIGMAR1CHRM4TNKSTNKS2
SCHEMBL1911445 0.80 P2RX7 (0.38) TNKSTNKS2PARP2ALDH1A1LMNA
SCHEMBL338848 0.80 P2RX7 (0.38) TNKSTNKS2PARP2ALDH1A1LMNA
SCHEMBL1912414 0.80 P2RX7 (0.38) TNKSTNKS2PARP2ALDH1A1LMNA
SCHEMBL338577 0.79 GSK3B (0.39) CHRM3ALDH1A1DPP4
SCHEMBL338950 0.75 ALDH1A1 (0.40) ALDH1A1LMNAHTTCNR1DPP4
SCHEMBL340212 0.73 DPP4 (0.39) TNKSTNKS2PARP2ALDH1A1DPP4
SCHEMBL339777 0.73 EPHX2 (0.38) DPP4
SCHEMBL339881 0.72 GSK3B (0.36) CHRM3CNR1DPP4

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC CHRM3 1268/4885SIGMAR1 270/4885CHRM4 1557/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CHRM3 1268/4885SIGMAR1 270/4885CHRM4 1557/4885

“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.