SCHEMBL4315951

SCHEMBL4315951

O=C(OC(Cn1ncnn1)c1ccccc1Cl)N1CCC(Cn2nccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GRIN2B Q13224 6/20 0.35
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.32
CYP2C9 P11712 5/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2B P41595 1/20 0.32
MAPK14 Q16539 1/20 0.32
CNR1 P21554 2/20 0.31
ENPP2 Q13822 1/20 0.31
KCNH2 Q12809 2/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 3/20 0.31
NOS2 P35228 1/20 0.31
CYP2D6 P10635 3/20 0.30

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
SCHEMBL4311381 0.95 POLB (0.39) POLBGRIN2BFAAHMGLLCYP2C9
SCHEMBL4308048 0.90 POLB (0.35) POLBCNR1
SCHEMBL4309582 0.90 POLB (0.35) POLBGRIN2BFAAHCYP2C9CYP2C19
SCHEMBL4313590 0.88 POLB (0.37) POLBGRIN2BENPP2NOS2
SCHEMBL4311956 0.88 ENPP2 (0.43) POLBENPP2
SCHEMBL13667456 0.87 FAAH (0.47) POLBFAAHCYP2C9CYP2C19HTR2B
SCHEMBL4306732 0.87 FAAH (0.47) POLBFAAHCYP2C9CYP2C19HTR2B
SCHEMBL13667455 0.87 FAAH (0.47) POLBFAAHCYP2C9CYP2C19HTR2B
SCHEMBL4304784 0.87 FAAH (0.41) POLBGRIN2BFAAHCYP2C9CYP2C19
SCHEMBL4309032 0.86 FAAH (0.41) FAAHMGLLCYP2C9CYP2C19HTR2B

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 4187/4885GRIN2B 54/4885FAAH 661/4885

“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.