SCHEMBL1177547

SCHEMBL1177547

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc(Cl)c(C(F)(F)F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.36
RAF1 P04049 6/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
BRAF P15056 2/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 3/20 0.33
CCR2 P41597 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL1177451 0.90 ACACB (0.35) EPHX2NOTUMMAPT
SCHEMBL1177675 0.89 CCR3 (0.37) HRH1CCR3KCNH2
SCHEMBL1177560 0.88 HRH3 (0.38) HRH1CCR3
SCHEMBL1177692 0.86 TEAD1 (0.38) EPHX2MAPT
SCHEMBL1177492 0.85 CHRNA3 (0.36) HRH1CCR3KCNH2
SCHEMBL1177812 0.83 PGR (0.43)
SCHEMBL1178276 0.82 KDM2B (0.38) KCNH2
SCHEMBL1178503 0.81 EPHX2 (0.35) EPHX2HRH1CCR3KCNH2MAPT
SCHEMBL1178133 0.81 EPHX2 (0.36) EPHX2MAPT
SCHEMBL1177533 0.80 LMNA (0.32) MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-05-12 US disclosed
US-7888358-B2 Serotonine, dopamine and norendrenaline receptors; antidepressants, anxiolytic agents, eating disorders; obesity; bipolar; drug abuse; neurodegenerative diseases NEUROSEARCH A/S (DK) 2011-02-15 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-20110112139-A1 NOVEL 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 EPHX2 1093/4885RAF1 4304/4885PPARG 4045/4885

“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.