SCHEMBL4308693

SCHEMBL4308693

O=C(OC(Cn1ncnn1)c1ccc(Cl)c(Cl)c1)N1CCC(CCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.44
CCR2 P41597 2/20 0.35
ENPP2 Q13822 1/20 0.35
TACR2 P21452 4/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
YAP1 P46937 1/20 0.34
FAAH O00519 2/20 0.33
CHRM3 P20309 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL4312902 0.88 SPR (0.45) SPRENPP2FAAH
SCHEMBL4306705 0.88 SPR (0.44) SPRFAAH
SCHEMBL4310234 0.86 SPR (0.47) SPRENPP2FAAH
SCHEMBL4311328 0.83 CCR3 (0.41) ENPP2SLC6A2SLC6A4SLC6A3FAAH
SCHEMBL4313000 0.82 CCR3 (0.43) SPRFAAH
SCHEMBL4311339 0.81 SPR (0.43) SPRENPP2FAAH
SCHEMBL4961290 0.81 SLC6A2 (0.44) SPRCCR2ENPP2TACR2SLC6A2
SCHEMBL4312834 0.80 CYP3A4 (0.39) SPR
SCHEMBL4311485 0.77 KCNH2 (0.45) KCNH2FAAH
SCHEMBL4308566 0.76 CCR3 (0.42) FAAH

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 1671/4885CCR2 4136/4885ENPP2 1992/4885

“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.