SCHEMBL1178441

SCHEMBL1178441

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc3ncccc3c1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
PDE10A Q9Y233 3/20 0.42
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
PPARG P37231 1/20 0.34
GALR3 O60755 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
NR2F2 P24468 2/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL1178276 0.85 KDM2B (0.38) PDE3BPDE3APDE10A
SCHEMBL1177592 0.83 PDE3B (0.37) PDE3BPDE3APDE10A
SCHEMBL1177533 0.83 LMNA (0.32) MAPTCYP3A4ATMLMNARAB9A
SCHEMBL1177961 0.82 LTA4H (0.39)
SCHEMBL1178029 0.81 SLC6A2 (0.41) ALDH1A1MAPT
SCHEMBL1177675 0.81 CCR3 (0.37) ALDH1A1KDM4E
SCHEMBL1178205 0.81 HRH3 (0.34)
SCHEMBL1178503 0.81 EPHX2 (0.35) MAPTRAB9A
SCHEMBL1178133 0.81 EPHX2 (0.36) MAPTHTT
SCHEMBL1177820 0.80 HRH3 (0.36) PDE3BPDE3APDE10AKDM4E

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 PDE3B 184/4885PDE3A 137/4885PDE10A 260/4885

“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.