SCHEMBL6042667

SCHEMBL6042667

O=C(O)N1CCC(Sc2ccc(Cl)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
DRD4 P21917 1/20 0.39
REN P00797 4/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PREP P48147 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 2/20 0.36
PRKG1 Q13976 1/20 0.35
CCR1 P32246 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL7077093 0.84 REN (0.41) MCHR1DRD4RENGPBAR1SIGMAR1
SCHEMBL27522709 0.83 REN (0.50) RENGPBAR1
SCHEMBL6041521 0.78 REN (0.43) RENSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6041307 0.78 REN (0.52) RENSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6043508 0.77 REN (0.51) REN
SCHEMBL15103191 0.76 REN (0.41) DRD4RENSLC6A2SLC6A4SLC6A3
SCHEMBL15103190 0.76 REN (0.41) DRD4RENSLC6A2SLC6A4SLC6A3
SCHEMBL15103192 0.76 REN (0.41) DRD4RENSLC6A2SLC6A4SLC6A3
SCHEMBL6954267 0.76 REN (0.57) RENSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6041738 0.76 REN (0.41) RENSLC6A2SLC6A4SLC6A3HTR2A

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 MCHR1 3054/4885DRD4 2414/4885REN 1485/4885

“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.