SCHEMBL4166370

SCHEMBL4166370

COCNC(=O)c1ccc2c(c1)ncn2CCCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
RORC P51449 2/20 0.46
GPR119 Q8TDV5 10/20 0.45
HPGD P15428 2/20 0.44
HDAC1 Q13547 1/20 0.42
NPC1 O15118 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL4165878 0.93 KDM4E (0.47) KDM4EPKMRORCGPR119HDAC1
SCHEMBL4166376 0.84 GPR119 (0.53) GPR119HPGDFAAH
SCHEMBL4169160 0.81 GPR119 (0.46) GPR119HPGDHDAC1FAAH
SCHEMBL4165880 0.77 GPR119 (0.53) GPR119FAAH
SCHEMBL2143374 0.76 ALDH1A1 (0.57) GPR119HPGDNPC1USP2ALDH1A1
SCHEMBL4161504 0.75 GPR119 (0.46) GPR119FAAH
SCHEMBL4157433 0.73 GPR119 (0.46) KDM4EPKMGPR119FAAH
SCHEMBL4492635 0.72 KDM4E (0.53) KDM4EPKMGPR119
SCHEMBL4001752 0.72 PRPS1 (0.53) KDM4EPKMGPR119FAAH
SCHEMBL6112673 0.72 NAMPT (0.54) HPGDNPC1ALDH1A1RAB9ANAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 US disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 US 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-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor HRH4, HRH3, HRH1 KDM4E 1407/4885PKM 4484/4885RORC 367/4885

“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.