SCHEMBL4312834

SCHEMBL4312834

COc1ccc(CCC2CCN(C(=O)OC(Cn3ncnn3)c3ccccc3Cl)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 1/20 0.38
SPR P35270 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSMB5 P28074 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
SCHEMBL4306705 0.92 SPR (0.44) CYP2C9CYP2C19MAOBSPR
SCHEMBL4314273 0.89 SMN1; SMN2 (0.45) CYP3A4CYP2C9CYP2C19ALDH1A1UBE2M
SCHEMBL4312902 0.84 SPR (0.45) SPRMEN1KMT2A
SCHEMBL4310234 0.84 SPR (0.47) SPRMEN1KMT2A
SCHEMBL4304494 0.84 FAAH (0.39) CYP2C9CYP2C19SPRALDH1A1MEN1
SCHEMBL4309173 0.83 MGLL (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL4311381 0.81 POLB (0.39) CYP2C9CYP2C19
SCHEMBL4309032 0.81 FAAH (0.41) CYP2C9CYP2C19SPRALDH1A1MEN1
SCHEMBL4308693 0.80 SPR (0.44) SPR
SCHEMBL13667456 0.80 FAAH (0.47) CYP2C9CYP2C19SPRALDH1A1MEN1

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 CYP3A4 121/4885CYP2C9 145/4885CYP2C19 156/4885

“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.