SCHEMBL357738

SCHEMBL357738

CN1CC[C@@H](NC(=O)c2cccnc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 2/20 0.61
HRH2 P25021 1/20 0.60
HRH1 P35367 1/20 0.60
KDM5A P29375 1/20 0.57
RAB9A P51151 2/20 0.57
MMP2 P08253 2/20 0.55
ANPEP P15144 2/20 0.55
HTT P42858 1/20 0.54
GRM5 P41594 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SORT1 Q99523 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL10224770 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTHRH2HRH1
SCHEMBL3955552 0.93 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTHRH2HRH1
SCHEMBL30365687 0.93 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTHRH2HRH1
SCHEMBL10212594 0.92 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTHRH2HRH1
SCHEMBL10223154 0.85 USP30 (0.56) L3MBTL1KDM5AMMP2ANPEPHDAC4
SCHEMBL356346 0.85 USP30 (0.56) L3MBTL1KDM5AMMP2ANPEPHDAC4
SCHEMBL18230112 0.85 USP30 (0.56) L3MBTL1KDM5AMMP2ANPEPHDAC4
SCHEMBL358264 0.84 CTSL (0.63) ALDH1A1RAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL10274561 0.84 CTSL (0.63) ALDH1A1RAB9ASMN1; SMN2HDAC4HDAC1
SCHEMBL28683089 0.84 SMN1; SMN2 (0.59) ALDH1A1L3MBTL1MAPTRAB9AHTT

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 12 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-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-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-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
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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 (5 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 387/4885L3MBTL1 3197/4885MAPT 4355/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885L3MBTL1 2749/4885MAPT 1870/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ALDH1A1 301/4885L3MBTL1 2443/4885MAPT 1867/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885L3MBTL1 2749/4885MAPT 1870/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885L3MBTL1 2749/4885MAPT 1870/4885

“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.