SCHEMBL6574084

SCHEMBL6574084

C1=C(c2c[nH]c3ccccc23)CC2CCC1N2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1A P08908 2/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HTR6 P50406 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL14904895 0.73 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL12093045 0.72 CHRNB2 (0.67) SLC6A4CHRNB2CHRNA4
SCHEMBL2881954 0.72 CHRNB2 (0.67) SLC6A4CHRNB2CHRNA4
SCHEMBL8208561 0.71 ESR1 (0.50) CHRNB2CHRNA4HTR2CHTR6
SCHEMBL1267308 0.71 CCNT1 (0.48) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL18689619 0.70 CHRNB2 (0.65) CHRNB2CHRNA4HTR2C
SCHEMBL8210793 0.68 MAPK14 (0.48) CHRNB2CHRNA4KDM4EMAPTHTR2C
SCHEMBL1202543 0.68 IMPDH2 (0.63) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL6843937 0.68 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM4EALOX15
SCHEMBL7185897 0.68 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM4EALOX15

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 6 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
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
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed
WO-1999065492-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 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 SLC6A4 90/4885SLC6A2 221/4885SLC6A3 353/4885

“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.