SCHEMBL2012233

SCHEMBL2012233

CN(C(=O)OC(C)(C)C)[C@H](CC#N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.52
▸ CTSS P25774 12/20 0.49
▸ CTSK P43235 9/20 0.49
▸ CTSB P07858 5/20 0.49
▸ CTSL P07711 4/20 0.49
▸ ATM Q13315 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL2035892 1.00 MAOB (0.52) MAOBCTSSCTSKCTSBCTSL
SCHEMBL2473923 0.84 ATM (0.43) CTSSCTSKCTSBCTSLATM
SCHEMBL6316889 0.84 ATM (0.43) CTSSCTSKCTSBCTSLATM
SCHEMBL27489128 0.84 ATM (0.43) CTSSCTSKCTSBCTSLATM
SCHEMBL8907586 0.84 L3MBTL1 (0.43) CTSSCTSKCTSBCTSLATM
SCHEMBL6316448 0.83 ATM (0.42) CTSSCTSKCTSBCTSLATM
SCHEMBL13995754 0.82 REN (0.46) CTSSCTSKCTSBCTSLATM
SCHEMBL24093689 0.81 ATM (0.41) CTSSCTSKCTSBCTSLATM
SCHEMBL2014842 0.81 ATM (0.41) CTSSCTSKCTSBCTSLATM
SCHEMBL3807212 0.81 ATM (0.41) CTSSCTSKCTSBCTSLATM

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 — — WO disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 — — US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 — — US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 — — US disclosed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 — — 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 MAOB 444/4885CTSS 3940/4885CTSK 4370/4885

“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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