SCHEMBL6041529

SCHEMBL6041529

O=C(O)N1CCC(O)(c2ccc(Cl)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.47
OPRK1 P41145 4/20 0.43
OPRD1 P41143 2/20 0.42
OPRM1 P35372 1/20 0.42
MCHR1 Q99705 1/20 0.39
CCR1 P32246 2/20 0.38
CNR2 P34972 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6042869 0.84 ALDH1A1 (0.45) OPRK1OPRD1OPRM1CNR2ALDH1A1
SCHEMBL4615941 0.81 OPRK1 (0.51) OPRK1OPRD1ALDH1A1SMN1; SMN2
SCHEMBL7076745 0.80 OPRL1 (0.42) OPRL1OPRK1MCHR1DRD4ALDH1A1
SCHEMBL6950570 0.78 SLC6A2 (0.50) OPRL1
SCHEMBL27522709 0.75 REN (0.50)
SCHEMBL6094891 0.74 OPRK1 (0.40) OPRK1OPRD1OPRM1SMN1; SMN2
SCHEMBL6094894 0.74 OPRK1 (0.40) OPRK1OPRD1OPRM1SMN1; SMN2
SCHEMBL8306369 0.74 OPRK1 (0.40) OPRK1OPRD1OPRM1SMN1; SMN2
SCHEMBL6042667 0.73 MCHR1 (0.40) OPRL1MCHR1CCR1DRD4
SCHEMBL4941602 0.73 OPRK1 (0.49) OPRL1OPRK1OPRD1OPRM1ALDH1A1

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 OPRL1 1154/4885OPRK1 2316/4885OPRD1 1517/4885

“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.