SCHEMBL6575982

SCHEMBL6575982

c1ccc2c(OCCN3CCCCC3)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
THPO P40225 1/20 0.60
PMP22 Q01453 1/20 0.58
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
JAK2 O60674 1/20 0.54
RAB9A P51151 1/20 0.54
HTR2A P28223 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
ADRA1D P25100 4/20 0.52
HRH1 P35367 2/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL5243103 0.80 HTR1A (0.58) TSHRMAPK1HTR2ATDP1ADRA1D
SCHEMBL5746589 0.77 TSHR (0.55) TSHRCYP1A2CYP2D6KDM4EHTR2A
SCHEMBL4451982 0.76 HRH3 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9LMNA
SCHEMBL5746976 0.75 TDP1 (0.54) TSHRCYP1A2CYP2D6KDM4EHTR2A
SCHEMBL1041116 0.75 TSHR (1.00) TSHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL11162957 0.75 TSHR (0.58) TSHRTDP1HRH1DRD2DRD1
SCHEMBL5943696 0.75 HRH3 (0.73) TSHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10733983 0.75 PRKCQ (0.54) TSHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10733985 0.75 PRKCQ (0.54) TSHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10730125 0.75 HRH1 (0.54) TSHRALDH1A1CYP1A2CYP2D6KDM4E

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 TSHR 862/4885ALDH1A1 124/4885CYP1A2 80/4885

“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.