SCHEMBL1177485

SCHEMBL1177485

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1nc3ccccc3s1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.36
LTA4H P09960 10/20 0.35
CNR1 P21554 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 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
SCHEMBL1177231 0.88 CYP2D6 (0.35) HCRTR2CYP2D6CYP2C19
SCHEMBL1178178 0.83 HCRTR2 (0.37) HCRTR2KDM4EHTR3EHTR3BHTR3A
SCHEMBL1177513 0.82 PDE3B (0.39) HCRTR2MEN1KMT2AHTR3EHTR3B
SCHEMBL1178259 0.81 HCRTR2 (0.36) HCRTR2KDM4EHTR3EHTR3BHTR3A
SCHEMBL1178143 0.81 HCRTR2 (0.36) HCRTR2LTA4HHTR3EHTR3BHTR3A
SCHEMBL1177445 0.80 KCNH2 (0.35) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1177414 0.79 KCNH2 (0.35) KCNH2
SCHEMBL1177349 0.78 KCNH2 (0.36) KCNH2
SCHEMBL1178031 0.78 KCNH2 (0.34) KCNH2
SCHEMBL1177747 0.78 HCRTR2 (0.39) HCRTR2

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 61/4885LTA4H 2281/4885CNR1 302/4885

“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.