SCHEMBL360174

SCHEMBL360174

CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCCCO3)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
TP53 P04637 1/20 0.63
EPHX2 P34913 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
HTT P42858 1/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 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
SCHEMBL357608 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1911236 0.95 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL359021 0.88 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL4117285 0.79 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6332386 0.78 RAB9A (1.00) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1911231 0.76 EPHX2 (0.62) NPC1RAB9AEPHX2ALDH1A1MEN1
SCHEMBL24381758 0.75 MEN1 (0.67) NPC1RAB9AEPHX2ALDH1A1MEN1
SCHEMBL356730 0.75 CTSL (0.65) SMN1; SMN2RAB9AEPHX2ALDH1A1KMT2A
SCHEMBL1912322 0.75 EPHX2 (0.50) SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL14385304 0.74 MAPK1 (0.45) SMN1; SMN2EPHX2MEN1KMT2ANPSR1

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 9 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
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

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 SMN1; SMN2 2150/4885NPC1 154/4885RAB9A 2007/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SMN1; SMN2 2150/4885NPC1 154/4885RAB9A 2007/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SMN1; SMN2 2150/4885NPC1 154/4885RAB9A 2007/4885

“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.