SCHEMBL6042543

SCHEMBL6042543

C[C@@H](OC1CCCCN1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
UGT2B7 P16662 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
SCHEMBL6044044 1.00 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL6042548 1.00 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL3173810 0.71 HIF1A (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL10326686 0.71 SLC6A4 (0.43) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL10326897 0.71 SLC6A4 (0.43) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL10326262 0.71 SLC6A4 (0.43) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL11672373 0.69 UGT2B7 (0.61) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL7055482 0.69 UGT2B7 (0.61) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL2956980 0.69 UGT2B7 (0.61) SLC6A3SLC6A2SLC6A4ADRA2AADRA2B
SCHEMBL30036151 0.69 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4

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 4 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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO 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.