SCHEMBL6041880

SCHEMBL6041880

c1ccc(COCc2cnnn2C2CCNCC2OCc2ccc3ccccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.57
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 2/20 0.48
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
HTR4 Q13639 1/20 0.45

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
SCHEMBL6043223 0.96 REN (0.63) REN
SCHEMBL6043810 0.81 REN (0.40) REN
SCHEMBL6949471 0.81 REN (0.58) RENSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL6041239 0.80 REN (0.57) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6041501 0.77 REN (0.45) REN
SCHEMBL6042908 0.77 REN (0.64) REN
SCHEMBL6959945 0.74 REN (0.88) REN
Hydrochloric Acid SCHEMBL7563038 0.73 REN (0.86) REN
SCHEMBL6043022 0.73 REN (1.00) REN
SCHEMBL15102987 0.73 REN (0.57) RENSLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999012532-A2 PIPERIDINE DERIVATIVES AGAINST MALARIA F.HOFFMANN-LA ROCHE AG (CH) 1999-03-18 WO claimed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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
WO-1999012532-A2 PIPERIDINE DERIVATIVES AGAINST MALARIA F.HOFFMANN-LA ROCHE AG (CH) 1999-03-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 REN 1485/4885SLC6A2 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.