SCHEMBL6574845

SCHEMBL6574845

CN1C2C=C(c3ccc(OC(F)(F)F)cc3)CC1CCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TNK2 Q07912 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6574968 0.92 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL6574900 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL6574966 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3L3MBTL1ALDH1A1
SCHEMBL6573499 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HCRTR1HCRTR2
SCHEMBL7806038 0.75 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6573568 0.74 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL1335541 0.72 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL7215873 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7209670 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL7809824 0.70 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149095-B1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2004-01-21 EP claimed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US claimed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US claimed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP claimed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO claimed
EP-1149095-B1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2004-01-21 EP disclosed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US disclosed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US disclosed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP disclosed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO 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-20010047028-A1 Novel azabicyclo derivatives and their use TACR2, TACR3, GPR68 SLC6A2 551/4885SLC6A4 519/4885SLC6A3 233/4885

“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.