SCHEMBL1178029

SCHEMBL1178029

COc1cccc(OC2CC3CCC(/C(=C\C(=O)O)C(=O)O)(C2)N3C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
EPHX2 P34913 1/20 0.39
OPRK1 P41145 5/20 0.39
KCNH2 Q12809 4/20 0.38
OPRM1 P35372 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
GRM5 P41594 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
FFAR1 O14842 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1178276 0.92 KDM2B (0.38) OPRK1KCNH2OPRM1
SCHEMBL1177592 0.91 PDE3B (0.37) OPRK1KCNH2OPRM1
SCHEMBL1178133 0.90 EPHX2 (0.36) SLC6A2SLC6A3EPHX2CHRM2CHRM1
SCHEMBL1177675 0.85 CCR3 (0.37) SLC6A2SLC6A4SLC6A3KCNH2ALDH1A1
SCHEMBL1177445 0.85 KCNH2 (0.35) KCNH2HRH3
SCHEMBL1178503 0.84 EPHX2 (0.35) SLC6A2SLC6A3EPHX2OPRK1KCNH2
SCHEMBL1177533 0.83 LMNA (0.32) OPRK1MAPT
SCHEMBL1177560 0.83 HRH3 (0.38) SLC6A2SLC6A4SLC6A3OPRK1HRH3
SCHEMBL1177674 0.83 PDE3B (0.36) OPRK1KCNH2HRH3
SCHEMBL1177820 0.83 HRH3 (0.36) OPRK1KCNH2HRH3

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 SLC6A2 3/4885SLC6A4 7/4885SLC6A3 6/4885

“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.