SCHEMBL357468

SCHEMBL357468

CN1CC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.80
HCAR3 P49019 1/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
CHRM4 P08173 1/20 0.48
AHR P35869 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL10210832 0.93 HPGD (0.76) HPGDHCAR3MAPTPOLBRAB9A
SCHEMBL4288472 0.81 HPGD (0.55) HPGDMAPTPOLBRAB9ASMN1; SMN2
SCHEMBL10210739 0.81 HPGD (0.57) HPGDHCAR3MAPTPOLBNPC1
SCHEMBL14392385 0.80 HDAC4 (0.49) HPGDMAPTRAB9AMEN1KMT2A
SCHEMBL360677 0.80 HDAC4 (0.49) HPGDMAPTRAB9AMEN1KMT2A
SCHEMBL359806 0.79 HDAC4 (0.48) HPGDMAPTPOLBRAB9AMEN1
SCHEMBL4287093 0.76 HPGD (0.60) HPGDMAPTPOLBRAB9ASMN1; SMN2
SCHEMBL29069383 0.74 MAPT (0.70) HPGDHCAR3MAPTPOLBRAB9A
SCHEMBL17888351 0.74 NPC1 (0.60) HPGDPOLBRAB9AMEN1KMT2A
SCHEMBL30767829 0.74 MAPT (0.70) HPGDHCAR3MAPTPOLBRAB9A

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 13 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
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (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 HPGD 2604/4885HCAR3 1231/4885MAPT 1870/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HPGD 2604/4885HCAR3 1231/4885MAPT 1870/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HPGD 2604/4885HCAR3 1231/4885MAPT 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.