SCHEMBL6041378

SCHEMBL6041378

Clc1ccc(C2CC3CCC(N3)C2OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
ITGA5 P08648 1/20 0.40
CHRNB1 P11230 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRND Q07001 1/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL6042344 0.86 REN (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL6043636 0.83 REN (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL6042932 0.83 SLC6A4 (0.45) SLC6A3SLC6A4
SCHEMBL6042216 0.82 SLC6A3 (0.43) SLC6A3SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL6042065 0.77 SLC6A4 (0.41) SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL6041575 0.76 SLC6A4 (0.45) SLC6A3SLC6A4
SCHEMBL6043155 0.75 SLC6A4 (0.42) SLC6A3SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL6042060 0.75 SLC6A4 (0.42) SLC6A3SLC6A4
SCHEMBL6958395 0.75 REN (0.54) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL6043007 0.74 REN (0.53) SLC6A3SLC6A4SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 SLC6A3 2921/4885SLC6A4 3264/4885CHRNB2 47/4885

“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.