SCHEMBL5577460

SCHEMBL5577460

COc1ccc(CN2CCC(C#N)(c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)CC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.50
KCNH2 Q12809 3/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
CCR8 P51685 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ACKR3 P25106 3/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL5577668 0.92 PDE4A (0.52) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5577917 0.87 PDE4A (0.47) CHRM3KCNH2PDE4APDE4BPDE4C
SCHEMBL5577349 0.87 CHRM3 (0.52) CHRM3KCNH2ALDH1A1ACKR3
SCHEMBL5577375 0.86 GAA (0.46) CHRM3KCNH2SMN1; SMN2GAALMNA
SCHEMBL5577287 0.85 ACKR3 (0.48) KCNH2SMN1; SMN2GAALMNACCR8
SCHEMBL5577794 0.83 GAA (0.44) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5577728 0.81 GAA (0.44) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5577323 0.81 KCNH2 (0.46) KCNH2PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL5577653 0.81 KDM4E (0.56) SMN1; SMN2GAALMNAALDH1A1
SCHEMBL5916204 0.80 OPRL1 (0.57) PDE4APDE4BPDE4CPDE4DDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CHRM3 2099/4885KCNH2 3617/4885PDE4A 2783/4885

“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.