SCHEMBL4113304

SCHEMBL4113304

CC(C)(C)C(O)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NOS2 P35228 1/20 0.34
CYP2D6 P10635 1/20 0.34
APLNR P35414 2/20 0.31

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
SCHEMBL24723118 0.78 GBA1 (0.32)
SCHEMBL7128001 0.78 CPN1 (0.43) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL13400108 0.77
SCHEMBL1570140 0.77
SCHEMBL13400319 0.77
SCHEMBL31326614 0.77
SCHEMBL5509022 0.77
SCHEMBL8137016 0.77
SCHEMBL31326604 0.77
SCHEMBL7893167 0.76

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 CPN1 601/4885CPB2 155/4885SLC6A1 4082/4885

“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.