SCHEMBL6576028

SCHEMBL6576028

C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCCOc1cccc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.91
SLC6A4 P31645 5/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 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
SCHEMBL6576032 1.00 HTR1A (0.91) HTR1ASLC6A4SLC6A2SLC6A3ADRA1D
SCHEMBL6575469 0.95 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3ADRA1D
SCHEMBL6575465 0.95 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3ADRA1D
SCHEMBL6573474 0.84 HTR1A (0.79) HTR1ASLC6A4SLC6A2SLC6A3ADRA1D
SCHEMBL6574125 0.83 HTR1A (0.92) HTR1ASLC6A4
SCHEMBL6574130 0.83 HTR1A (0.92) HTR1ASLC6A4
SCHEMBL6574196 0.81 HTR1A (0.73) HTR1ASLC6A4
SCHEMBL6574201 0.81 HTR1A (0.73) HTR1ASLC6A4
SCHEMBL6575890 0.78 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL6577432 0.78 HTR1A (1.00) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP claimed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US claimed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 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

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 HTR1A 1/4885SLC6A4 90/4885SLC6A2 221/4885

“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.