SCHEMBL1178178

SCHEMBL1178178

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc3ccccc3n1)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
HCRTR1 O43613 3/20 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
SCHEMBL1177513 0.88 PDE3B (0.39) HCRTR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1177445 0.86 KCNH2 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1178259 0.86 HCRTR2 (0.36) HCRTR2KDM4EALDH1A1HTR3EHTR3B
SCHEMBL1177414 0.85 KCNH2 (0.35)
SCHEMBL1177349 0.84 KCNH2 (0.36)
SCHEMBL1178031 0.84 KCNH2 (0.34)
SCHEMBL1178238 0.84 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1177485 0.83 HCRTR2 (0.36) HCRTR2KDM4EHTR3EHTR3BHTR3A
SCHEMBL1178143 0.82 HCRTR2 (0.36) HCRTR2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1177619 0.81

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 HCRTR2 61/4885KDM4E 452/4885ALDH1A1 535/4885

“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.