SCHEMBL4304494

SCHEMBL4304494

O=C(OC(Cn1ncnn1)c1ccccc1Cl)N1CCC(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
SPR P35270 4/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
TACR3 P29371 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MGLL Q99685 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
CCR3 P51677 1/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CHRM2 P08172 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4309032 0.95 FAAH (0.41) FAAHSPRCYP2C9CYP2C19HTR2B
SCHEMBL4306732 0.90 FAAH (0.47) FAAHSPRCYP2C9CYP2C19HTR2B
SCHEMBL13667456 0.90 FAAH (0.47) FAAHSPRCYP2C9CYP2C19HTR2B
SCHEMBL13667455 0.90 FAAH (0.47) FAAHSPRCYP2C9CYP2C19HTR2B
SCHEMBL4307866 0.89 RIPK1 (0.39) FAAHCCR3
SCHEMBL4310470 0.88 MEN1 (0.41) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4304784 0.87 FAAH (0.41) FAAHSPRCYP2C9CYP2C19HTR2B
SCHEMBL4314273 0.87 SMN1; SMN2 (0.45) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4308566 0.86 CCR3 (0.42) FAAHCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4306705 0.86 SPR (0.44) FAAHSPRCYP2C9CYP2C19HTR2B

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 FAAH 661/4885SPR 1671/4885CYP2C9 145/4885

“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.