SCHEMBL3600517

SCHEMBL3600517

COc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.75
OPRL1 P41146 3/20 0.67
SIGMAR1 Q99720 5/20 0.61
OPRD1 P41143 1/20 0.54
KMT2A Q03164 1/20 0.51

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
Hydrochloric Acid SCHEMBL3610068 0.99 OPRM1 (0.73) OPRM1OPRL1SIGMAR1OPRD1KMT2A
SCHEMBL4872137 0.86 OPRM1 (0.70) OPRM1OPRL1SIGMAR1OPRD1KMT2A
SCHEMBL476404 0.86 OPRM1 (1.00) OPRM1OPRL1SIGMAR1OPRD1
Hydrochloric Acid SCHEMBL8355555 0.85 OPRM1 (0.68) OPRM1OPRL1SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL2473959 0.85 OPRM1 (0.97) OPRM1OPRL1SIGMAR1OPRD1
SCHEMBL8350406 0.80 OPRM1 (0.81) OPRM1OPRL1SIGMAR1OPRD1
SCHEMBL5480849 0.80 OPRM1 (0.60) OPRM1OPRL1SIGMAR1KMT2A
SCHEMBL3895012 0.79 OPRM1 (0.83) OPRM1OPRL1SIGMAR1OPRD1
SCHEMBL8267914 0.78 SIGMAR1 (0.62) SIGMAR1KMT2A
SCHEMBL6216980 0.78 SIGMAR1 (0.49) OPRM1OPRL1SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
CN-101671310-A Compounds and compositions useful as cathepsin s inhibitors NOVARTIS AG 2010-03-17 CN disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
CN-101035768-A Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF OPRM1 2515/4885OPRL1 3275/4885SIGMAR1 4070/4885

“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.