SCHEMBL13873709

SCHEMBL13873709

C[C@H](CNC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
HTR2A P28223 4/20 0.46
KCNH2 Q12809 3/20 0.46
HTR2C P28335 2/20 0.46
ELOVL6 Q9H5J4 1/20 0.44
EPHX2 P34913 2/20 0.44
POLB P06746 1/20 0.43
SPR P35270 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
NAMPT P43490 2/20 0.42
TPSAB1 Q15661 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL13873727 0.93 TAAR1 (0.47) TAAR1HTR2AKCNH2HTR2CELOVL6
SCHEMBL20116677 0.82 TAAR1 (0.54) TAAR1EPHX2POLBSMN1; SMN2LMNA
SCHEMBL21611301 0.79 ALDH1A1 (0.60) TAAR1POLBSMN1; SMN2MAPTNPC1
SCHEMBL13873506 0.77 HTR2A (0.62) HTR2AKCNH2HTR2CPOLBTPSAB1
SCHEMBL13873879 0.77 EPHX2 (0.60) TAAR1EPHX2POLBSMN1; SMN2TPSAB1
SCHEMBL14490147 0.76 EPHX2 (0.50) ELOVL6EPHX2NAMPTKMT2A
SCHEMBL13874898 0.76 HTR2A (0.46) HTR2AKCNH2HTR2CELOVL6EPHX2
SCHEMBL13873718 0.76 EPHX2 (0.55) HTR2AKCNH2HTR2CEPHX2SMN1; SMN2
SCHEMBL13873196 0.75 LMNA (0.52) HTR2AKCNH2HTR2CELOVL6SPR
SCHEMBL13873501 0.75 TP53 (0.47) HTR2AKCNH2HTR2CELOVL6EPHX2

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
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US 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 TAAR1 4080/4885HTR2A 4228/4885KCNH2 3327/4885

“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.