SCHEMBL4316050

SCHEMBL4316050

O=C(OC(COc1ccc(Cl)c(Cl)c1)Cn1nccn1)N1CCC(CCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
HRH1 P35367 6/20 0.38
CCR3 P51677 6/20 0.38
KCNH2 Q12809 4/20 0.38
GRIN2B Q13224 2/20 0.37
YAP1 P46937 1/20 0.37
ENPP2 Q13822 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FAAH O00519 1/20 0.35
DRD4 P21917 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4304614 0.87 SPR (0.44) SPRGRIN2BMEN1KMT2A
SCHEMBL4308699 0.86 SPR (0.48) SPRGRIN2BFAAHMEN1KMT2A
SCHEMBL4960716 0.85 HCRTR1 (0.46) HRH1CCR3KCNH2
SCHEMBL4311339 0.80 SPR (0.43) SPRGRIN2BENPP2PPARGPPARA
SCHEMBL4308693 0.75 SPR (0.44) SPRKCNH2YAP1ENPP2FAAH
SCHEMBL4309877 0.73 ALDH1A1 (0.36) PPARGPPARAMEN1KMT2A
SCHEMBL4960742 0.72 ABCB1 (0.40) KCNH2MEN1KMT2A
SCHEMBL4312902 0.71 SPR (0.45) SPRGRIN2BENPP2FAAHMEN1
SCHEMBL4306705 0.70 SPR (0.44) SPRGRIN2BFAAH
SCHEMBL4308692 0.70 DRD4 (0.52) FAAHDRD4MEN1KMT2A

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 SPR 1671/4885HRH1 1950/4885CCR3 3607/4885

“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.