SCHEMBL5481475

SCHEMBL5481475

N[C@H]1CC[C@H](Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.48
FAAH O00519 12/20 0.48
AADAC P22760 1/20 0.48
RAF1 P04049 1/20 0.43
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 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
SCHEMBL16570022 1.00 EPHX2 (0.48) EPHX2FAAHAADACRAF1FPR2
SCHEMBL7657873 0.91 EPHX2 (0.54) EPHX2FAAHAADACRAF1FPR2
SCHEMBL2013324 0.84 PARP10 (0.47) EPHX2
SCHEMBL18960369 0.83 EPHX2 (0.48) EPHX2FAAHAADACRAF1FPR2
SCHEMBL649802 0.82 TEAD1 (0.52) EPHX2FPR2PROKR1MMP2MMP13
SCHEMBL22731878 0.82 TEAD1 (0.52) EPHX2FPR2PROKR1MMP2MMP13
SCHEMBL648451 0.82 TEAD1 (0.52) EPHX2FPR2PROKR1MMP2MMP13
Hydrochloric Acid SCHEMBL30636292 0.82 KDM1A (0.41) EPHX2FAAHAADACFPR2PROKR1
Hydrochloric Acid SCHEMBL30152387 0.81 TEAD1 (0.51) EPHX2FPR2PROKR1MMP2MMP13
SCHEMBL1065750 0.79 EPHX2 (0.50) EPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 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 (3 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-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 EPHX2 3905/4885FAAH 4078/4885AADAC 1796/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX2 2739/4885FAAH 3307/4885AADAC 306/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 EPHX2 2739/4885FAAH 3307/4885AADAC 306/4885

“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.