SCHEMBL1177692

SCHEMBL1177692

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.38
EPHX2 P34913 3/20 0.38
NAAA Q02083 1/20 0.37
LIPE Q05469 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
LIPG Q9Y5X9 3/20 0.34
LIPC P11150 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCL2A1 Q16548 1/20 0.33
ADRB2 P07550 1/20 0.33
MMP13 P45452 3/20 0.33
MMP2 P08253 2/20 0.33

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
SCHEMBL1178133 0.88 EPHX2 (0.36) EPHX2NAAAMAPTSMN1; SMN2
SCHEMBL1178503 0.88 EPHX2 (0.35) EPHX2NAAAHRH3FPR2PROKR1
SCHEMBL1177451 0.86 ACACB (0.35) EPHX2HRH3KDM4EMAPT
SCHEMBL1178255 0.86 EPHX2 (0.43) EPHX2LIPELIPG
SCHEMBL1177547 0.86 EPHX2 (0.36) EPHX2MAPT
SCHEMBL1178479 0.85 HRH3 (0.41) NAAAHRH3
SCHEMBL967709 0.84 SLC6A2 (0.36)
SCHEMBL1178276 0.83 KDM2B (0.38)
SCHEMBL1177675 0.83 CCR3 (0.37) FPR2PROKR1KDM4EALDH1A1
SCHEMBL1177533 0.81 LMNA (0.32) MAPTSMN1; SMN2

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 TEAD1 1714/4885EPHX2 1093/4885NAAA 812/4885

“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.