SCHEMBL4308697

SCHEMBL4308697

O=C(OC(Cn1ncnn1)c1ccccc1Cl)N1CCCC(Cn2ncnn2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM3 Q14832 1/20 0.35
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
REN P00797 4/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4308048 0.96 POLB (0.35) POLBGRM5GRM7GRM3CNR1
SCHEMBL4308687 0.91 ENPP2 (0.40) POLBGRM5GRM7GRM3NPC1
SCHEMBL4311381 0.89 POLB (0.39) POLBCNR1KCNH2
SCHEMBL4307866 0.88 RIPK1 (0.39) HSD11B1
SCHEMBL4315951 0.85 POLB (0.37) POLBCNR1KCNH2
SCHEMBL4304494 0.83 FAAH (0.39) POLBCNR1ALDH1A1KMT2A
SCHEMBL4306705 0.83 SPR (0.44) POLB
SCHEMBL4316140 0.83 LMNA (0.42) POLBCNR1NPC1HSD11B1
SCHEMBL4958786 0.82 POLB (0.37) POLBGRM5GRM7GRM3CNR1
SCHEMBL13667456 0.81 FAAH (0.47) POLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 POLB 4187/4885GRM5 146/4885GRM7 192/4885

“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.