SCHEMBL967709

SCHEMBL967709

CN1C2CCC1(/C(=C\C(=O)O)C(=O)O)CC(Oc1ccc(C#Cc3ccccc3)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ACACB O00763 10/20 0.34
GRM5 P41594 4/20 0.33
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 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
SCHEMBL1178479 0.90 HRH3 (0.41) KCNH2
SCHEMBL1178133 0.87 EPHX2 (0.36) SLC6A2SLC6A3
SCHEMBL1178503 0.87 EPHX2 (0.35) SLC6A2SLC6A3OPRK1KCNH2HTR3E
SCHEMBL1177692 0.84 TEAD1 (0.38)
SCHEMBL1178205 0.84 HRH3 (0.34) SLC6A2SLC6A3OPRK1KCNH2
SCHEMBL1178029 0.82 SLC6A2 (0.41) SLC6A2SLC6A3GRM5OPRK1KCNH2
SCHEMBL1178276 0.82 KDM2B (0.38) OPRK1KCNH2
SCHEMBL1177675 0.82 CCR3 (0.37) SLC6A2SLC6A3KCNH2
SCHEMBL1177739 0.81 ACSL1 (0.42)
SCHEMBL1177560 0.80 HRH3 (0.38) SLC6A2SLC6A3OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015235-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S 2011-01-20 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-20110015235-A1 NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A3 6/4885ACACB 2650/4885

“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.