SCHEMBL4101596

SCHEMBL4101596

CC(C)(C)C1CC(Oc2ccc(C#N)cc2)CCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.53
HRH3 Q9Y5N1 14/20 0.52
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
MLNR O43193 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL8536867 0.84 CCR5 (0.40) GPR119EPHX2
SCHEMBL4111964 0.81 APP (0.42)
SCHEMBL74339 0.80 MMP13 (0.44) EPHX2
SCHEMBL6263373 0.80 HRH3 (0.42) GPR119HRH3
SCHEMBL6222065 0.80 EPHX2 (0.42) GPR119EPHX2
SCHEMBL4111969 0.80 EPHX2 (0.49) FFAR4EPHX2
SCHEMBL4718944 0.79 HRH1 (0.47) KCNH2
SCHEMBL8514705 0.79 IRAK4 (0.42) GPR119FFAR4
SCHEMBL2452373 0.79 GPR6 (0.41) GPR119
SCHEMBL3290157 0.79 HRH3 (0.64) GPR119HRH3FPR2PROKR1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 GPR119 3443/4885HRH3 291/4885GRIN1 3298/4885

“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.