SCHEMBL6573451

SCHEMBL6573451

c1ccc2cc(C3CC4CCC(C3)N4CCSc3cccc4cccnc34)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.40
OPRD1 P41143 7/20 0.40
ALDH1A1 P00352 7/20 0.38
HPGD P15428 7/20 0.38
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
PSMD14 O00487 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
AGTR1 P30556 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL6578109 0.82 OPRM1 (0.40) OPRM1OPRD1DRD2SLC6A4
SCHEMBL6573387 0.80 MAPT (0.47) OPRM1OPRD1HPGDKDM4ELMNA
SCHEMBL6575266 0.72 SLC6A4 (0.48) OPRM1OPRD1DRD2SLC6A4
SCHEMBL6577183 0.72 OPRM1 (0.48) OPRM1OPRD1DRD2SLC6A4
SCHEMBL6577692 0.72 OPRM1 (0.45) OPRM1OPRD1HTTSLC6A4MAPT
SCHEMBL8106540 0.68 SLC6A4 (0.54) KDM4EDRD2SLC6A4
SCHEMBL26705850 0.64 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL12963495 0.64 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL17188236 0.63 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL7034644 0.63 HRH3 (0.51) DRD2SLC6A4

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 OPRM1 98/4885OPRD1 58/4885ALDH1A1 124/4885

“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.