SCHEMBL1177533

SCHEMBL1177533

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc3cc(Br)ccc3c1)C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
OPRK1 P41145 1/20 0.31
CYP2D6 P10635 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALK Q9UM73 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

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 0.91 KDM2B (0.38) OPRK1
SCHEMBL1177592 0.89 PDE3B (0.37) OPRK1
SCHEMBL1178205 0.86 HRH3 (0.34) OPRK1
SCHEMBL1177492 0.86 CHRNA3 (0.36) OPRK1
SCHEMBL1177961 0.85 LTA4H (0.39)
SCHEMBL1177675 0.85 CCR3 (0.37)
SCHEMBL1178503 0.84 EPHX2 (0.35) NPC1MAPTRAB9AOPRK1CYP2D6
SCHEMBL1178133 0.84 EPHX2 (0.36) MAPTSMN1; SMN2
SCHEMBL1177674 0.83 PDE3B (0.36) OPRK1CYP2D6TSHR
SCHEMBL1177560 0.83 HRH3 (0.38) NPC1RAB9ASMN1; SMN2OPRK1

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 LMNA 4368/4885L3MBTL1 4826/4885NPC1 280/4885

“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.