SCHEMBL1178503

SCHEMBL1178503

Cc1ccc(OC2CC3CCC(/C(=C\C(=O)O)C(=O)O)(C2)N3C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NAAA Q02083 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
OPRK1 P41145 3/20 0.32
KCNH2 Q12809 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SRD5A2 P31213 1/20 0.31
P2RX3 P56373 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
NR1I2 O75469 1/20 0.31
HTR3B O95264 1/20 0.31

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
SCHEMBL1178133 0.92 EPHX2 (0.36) EPHX2SLC6A2SLC6A3NAAAMAPT
SCHEMBL1177692 0.88 TEAD1 (0.38) EPHX2NAAAHRH3FPR2PROKR1
SCHEMBL1178479 0.88 HRH3 (0.41) NAAAHRH3KCNH2
SCHEMBL967709 0.87 SLC6A2 (0.36) SLC6A2SLC6A3OPRK1KCNH2SRD5A2
SCHEMBL1177560 0.86 HRH3 (0.38) SLC6A2SLC6A3HRH3OPRK1FFAR4
SCHEMBL1177675 0.86 CCR3 (0.37) SLC6A2SLC6A3KCNH2FFAR4MEN1
SCHEMBL1178276 0.86 KDM2B (0.38) OPRK1KCNH2OPRM1
SCHEMBL1177674 0.84 PDE3B (0.36) HRH3OPRK1KCNH2CYP2D6
SCHEMBL1177820 0.84 HRH3 (0.36) HRH3OPRK1KCNH2CYP2D6
SCHEMBL1177533 0.84 LMNA (0.32) OPRK1CYP1A2CYP2D6NPC1MAPT

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 EPHX2 1093/4885SLC6A2 3/4885SLC6A3 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.