SCHEMBL4102370

SCHEMBL4102370

CC(C)(C)C1C(Oc2ncccn2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.38
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 3/20 0.36
GPR119 Q8TDV5 2/20 0.35
RIPK1 Q13546 2/20 0.35
HCRTR1 O43613 5/20 0.34
GRM1 Q13255 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2J2 P51589 2/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR2 O43614 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5673331 0.78 RAB9A (0.38) KDM4EKMT2A
SCHEMBL5672389 0.76 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL8534571 0.76 LPL (0.41) KMT2A
SCHEMBL5672370 0.76 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3566634 0.76 RIPK1 (0.32) RIPK1
SCHEMBL28059288 0.75 OPRK1 (0.38) RIPK1
SCHEMBL21747197 0.74 DPP4 (0.32) RIPK1
SCHEMBL5116363 0.74 MEN1 (0.48) RIPK1KMT2A
SCHEMBL23582607 0.74 DGAT2 (0.47) HCRTR1KMT2AHCRTR2L3MBTL1
SCHEMBL4279118 0.74 CHRM3 (0.36) KMT2A

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 1 patent. 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

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 RBP4 905/4885CYP2C19 1179/4885KDM4E 2114/4885

“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.