SCHEMBL1908720

SCHEMBL1908720

CN1CC[C@@H](NC(=O)Nc2ccc(C#N)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSC P53634 1/20 0.47
MAPK1 P28482 4/20 0.46
AR P10275 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL1908774 0.89 MAPK1 (0.46) USP30CTSLCTSBCTSSCTSC
SCHEMBL359016 0.82 EPHX1 (0.64) USP30CTSLCTSBCTSSCTSC
SCHEMBL1908734 0.81 MEN1 (0.51) MAPK1EPHX2CCNCCDK8
SCHEMBL13877192 0.77 USP30 (0.53) USP30MAPK1
SCHEMBL1911231 0.76 EPHX2 (0.62) USP30CTSLCTSBCTSSCTSC
SCHEMBL354641 0.76 EPHX2 (0.66) CTSLCTSBCTSSCTSCEPHX2
SCHEMBL359333 0.76 EPHX2 (0.66) CTSLCTSBCTSSCTSCEPHX2
SCHEMBL358834 0.76 EPHX2 (0.66) CTSLCTSBCTSSCTSCEPHX2
SCHEMBL24381758 0.75 MEN1 (0.67) USP30CTSLCTSBCTSSCTSC
SCHEMBL1908655 0.75 EPHX1 (0.61) USP30CTSLCTSBCTSSCTSC

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-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 USP30 4498/4885CTSL 4051/4885CTSB 3494/4885

“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.