SCHEMBL359016

SCHEMBL359016

CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
USP30 Q70CQ3 4/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSC P53634 1/20 0.55
EPHX2 P34913 4/20 0.51
RECQL P46063 1/20 0.49
DPP4 P27487 1/20 0.47
FPR2 P25090 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NLRP3 Q96P20 1/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL10211639 0.93 EPHX1 (0.68) EPHX1USP30CTSLCTSBCTSS
SCHEMBL22104127 0.92 EPHX1 (0.71) EPHX1USP30CTSLCTSBCTSS
SCHEMBL12086274 0.87 USP30 (0.50) EPHX1USP30CTSLCTSBCTSS
SCHEMBL1911231 0.84 EPHX2 (0.62) EPHX1USP30CTSLCTSBCTSS
SCHEMBL24381758 0.83 MEN1 (0.67) EPHX1USP30CTSLCTSBCTSS
SCHEMBL356730 0.82 CTSL (0.65) EPHX1USP30CTSLCTSBCTSS
SCHEMBL1908720 0.82 USP30 (0.48) EPHX1USP30CTSLCTSBCTSS
SCHEMBL13877192 0.82 USP30 (0.53) USP30MAPK1
SCHEMBL4011155 0.82 EPHX1 (0.67) EPHX1EPHX2RECQL
SCHEMBL27100452 0.81 EPHX1 (0.60) EPHX1USP30CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885USP30 3965/4885CTSL 1016/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885USP30 3965/4885CTSL 1016/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885USP30 3965/4885CTSL 1016/4885

“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.