SCHEMBL6574843

SCHEMBL6574843

CN1C2CC=CC1(c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.42
SLC6A3 Q01959 15/20 0.42
CYP2D6 P10635 5/20 0.42
SLC6A2 P23975 5/20 0.42
KCNH2 Q12809 5/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
OPRM1 P35372 1/20 0.38

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
SCHEMBL4593876 0.69 SLC6A4 (0.50) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL7806789 0.65 SLC6A3 (0.44) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL14625009 0.65 SLC6A4 (0.55) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL14625431 0.64 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL19767370 0.63 SLC6A4 (0.57) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL5196186 0.62 SLC6A2 (0.57) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL10993988 0.61 SLC6A4 (0.84) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL7003057 0.60 SLC6A3 (0.41) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL2473828 0.59 SLC6A4 (1.00) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL13272946 0.59 SLC6A4 (1.00) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2

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 7 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 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
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
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO 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

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 SLC6A4 519/4885SLC6A3 233/4885CYP2D6 1128/4885

“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.