SCHEMBL5196186

SCHEMBL5196186

CN1C2CCC1CC(O)(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.57
SLC6A4 P31645 5/20 0.57
SLC6A3 Q01959 5/20 0.57
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
OPRM1 P35372 3/20 0.48
OPRL1 P41146 3/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 1/20 0.48
CHRM1 P11229 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2893224 0.88 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5193747 0.82 DRD2 (0.57) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL8112358 0.77 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5193764 0.77 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL15956392 0.76 OPRM1 (0.46) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL8208443 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5195808 0.76 ALDH1A1 (0.67) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5194656 0.75 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL5829461 0.74 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL5829462 0.74 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859777-B1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2007-05-23 EP disclosed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO disclosed
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP disclosed
US-6100275-A SEROTONIN RE-UPTAKE INHIBITORS; ANTIDEPRESSANTS NEUROSEARCH A/S (DK) 2000-08-08 US disclosed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO disclosed
CN-1199400-A 8-azabicyclo [3.2.1] oct-2-ene derivatives, their preparation and use NEUROSEARCH AS (DK) 1998-11-18 CN disclosed
EP-0859777-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-08-26 EP disclosed
WO-1997013770-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-04-17 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-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C SLC6A2 221/4885SLC6A4 90/4885SLC6A3 353/4885

“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.