SCHEMBL6573511

SCHEMBL6573511

ClCCOc1cccc2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.50
RXRA P19793 9/20 0.50
RXRG P48443 6/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
MCL1 Q07820 2/20 0.43
SSTR4 P31391 1/20 0.43
HTR1A P08908 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL7847131 0.97 RXRA (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL9719997 0.85 RXRA (0.55) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL11015470 0.83 RXRB (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL5456652 0.83 RXRA (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL2416358 0.83 RXRB (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL12968228 0.81 PTGES (0.55) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL15625773 0.80 S1PR5 (0.54) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL6480708 0.79 RXRA (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL5448918 0.79 RXRA (0.50) RXRBRXRARXRGMRGPRX4MCL1
SCHEMBL9512276 0.79 RXRA (0.54) RXRBRXRARXRGMRGPRX4MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100408575-C Aryl-8-azabicyclo[3,2,1]octanes for treating depression WYETH CORP (US) 2008-08-06 CN disclosed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP disclosed
CN-1509287-A Aryl-8-azabicyclo[3,2,1]octanes for treating depression 2004-06-30 CN 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
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 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 RXRB 385/4885RXRA 376/4885RXRG 631/4885

“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.