SCHEMBL6573387

SCHEMBL6573387

c1ccc2cc(C3CC4CCC(C3)N4CCOc3cccc4cccnc34)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL6577692 0.81 OPRM1 (0.45) MAPTRAB9AOPRM1OPRD1NPC1
SCHEMBL6573451 0.80 OPRM1 (0.40) MAPTOPRM1OPRD1LMNAKDM4E
SCHEMBL6576189 0.79 HTR1A (0.62) OPRM1OPRD1HTR1A
SCHEMBL6578109 0.74 OPRM1 (0.40) OPRM1OPRD1
SCHEMBL6575266 0.73 SLC6A4 (0.48) OPRM1OPRD1
SCHEMBL6577183 0.73 OPRM1 (0.48) OPRM1OPRD1
SCHEMBL8106540 0.69 SLC6A4 (0.54) KDM4E
SCHEMBL10654773 0.67 RAB9A (0.56) MAPTRAB9ALMNASMN1; SMN2KDM4E
SCHEMBL1101274 0.66 MAPT (1.00) MAPTRAB9ALMNASMN1; SMN2KDM4E
SCHEMBL1101107 0.66 RAB9A (0.55) MAPTRAB9ALMNASMN1; SMN2KDM4E

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-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP claimed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP claimed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US claimed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US claimed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO claimed
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

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 MAPT 2519/4885RAB9A 3217/4885OPRM1 98/4885

“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.