SCHEMBL8266263

SCHEMBL8266263

CC(C)(C)CN1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.58
▸ DPP4 P27487 4/20 0.54
▸ SLC6A3 Q01959 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ OPRM1 P35372 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ SLC18A3 Q16572 1/20 0.40
▸ OPRD1 P41143 1/20 0.38

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 SCHEMBL3603531 0.83 MAOA (0.56) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL16565878 0.82 MAOA (0.63) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL3325272 0.81 OPRM1 (0.67) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL16546664 0.79 OGA (0.43) OPRM1KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL468959 0.78 MAOA (0.68) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL13656293 0.78 OPRL1 (0.61) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2470240 0.78 MAOA (0.61) MAOAMAOBTAAR1DPP4OPRM1
Hydrochloric Acid SCHEMBL3597198 0.77 MAOA (0.66) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL3326417 0.76 MAOA (0.59) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL1492704 0.75 MAOB (1.00) MAOAMAOBTAAR1DPP4SLC6A3

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 5 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
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 — — US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 — — US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 — — US 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 MAOA 1032/4885MAOB 758/4885TAAR1 3386/4885

“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.

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