SCHEMBL6041266

SCHEMBL6041266

O=C(OCC(Cl)(Cl)Cl)OC1C(c2ccc(Br)cc2)CC2CCC1N2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 6/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SALL4 Q9UJQ4 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL6041374 0.90 SLC6A4 (0.42) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL7560109 0.82 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL6041777 0.73 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4AGTR2
SCHEMBL6042700 0.72 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3SALL4
SCHEMBL6042380 0.64 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3SALL4
SCHEMBL6043586 0.62 SLC6A4 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL6043904 0.61 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL18586533 0.61 SLC6A4 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL6041381 0.61 REN (0.42) SLC6A3SLC6A4
SCHEMBL17591750 0.61 ALDH1A1 (0.44) CHRM2CHRM4CHRM1CHRM3

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 2921/4885SLC6A2 3109/4885SLC6A4 3264/4885

“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.