SCHEMBL6573678

SCHEMBL6573678

C1=NC(CCOc2cc3ccccc3[nH]2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.33
ALDH1A1 P00352 3/20 0.33
AR P10275 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MAOB P27338 1/20 0.31
CHRNA7 P36544 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL7987458 0.72 AR (0.42) ALDH1A1ARPTPN2PTPN1KDM4E
SCHEMBL5667289 0.69 AOC3 (0.36) ALDH1A1HRH3KDM4EMAPTLOXL2
SCHEMBL7775103 0.69 AR (0.42) ALDH1A1ARHRH3KDM4EMAPT
SCHEMBL7207164 0.69 LOXL2 (0.50) ALDH1A1ARHRH3KDM4EMAPT
SCHEMBL4273420 0.69 MAPT (0.45) ALDH1A1ARKDM4EMAPTLOXL2
SCHEMBL28975117 0.68 GABRP (0.48) ALDH1A1ARKDM4EMAPTLOXL2
SCHEMBL4265909 0.68 DRD2 (0.46) ALDH1A1ARKDM4EMAPTLOXL2
SCHEMBL5557187 0.68 LOXL2 (0.49) ALDH1A1ARHRH3KDM4EMAPT
SCHEMBL31370881 0.68 KDM4E (0.41) AKR1C3ALDH1A1ARKDM4EMAPT
SCHEMBL7331250 0.68 AR (0.41) ALDH1A1ARHRH3KDM4EMAPT

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 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 AKR1C3 273/4885ALDH1A1 124/4885AR 66/4885

“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.