SCHEMBL6042866

SCHEMBL6042866

O=C(O)N1CCC(O)(c2ccc(Br)cc2)C(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.45
OPRD1 P41143 7/20 0.45
ACE2 Q9BYF1 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CCR1 P32246 1/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL28063989 0.87 OPRK1 (0.56) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL556084 0.78 OPRK1 (0.42) OPRK1OPRD1
SCHEMBL6043574 0.77 ALDH1A1 (0.53) POLBALDH1A1MAPTKMT2A
SCHEMBL534595 0.77 OPRK1 (0.40) OPRK1OPRD1KMT2A
SCHEMBL6954545 0.74 RORC (0.37) OPRK1OPRD1ALDH1A1
SCHEMBL1427539 0.73 CA12 (0.57) OPRK1OPRD1ACE2CA12CA1
SCHEMBL17799062 0.73 OPRK1 (0.50) OPRK1OPRD1
SCHEMBL3585852 0.73 HSD11B1 (0.45) OPRK1OPRD1ACE2CA12CA1
SCHEMBL3633446 0.71 CA12 (0.51) OPRK1OPRD1ACE2CA12CA1
SCHEMBL2246366 0.70 OPRK1 (0.49) OPRK1OPRD1ALDH1A1MAPTKMT2A

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 OPRK1 2316/4885OPRD1 1517/4885ACE2 391/4885

“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.