SCHEMBL357690

SCHEMBL357690

CN1CC[C@@H](NC(=O)NCc2cccc(O)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.53
SSTR4 P31391 1/20 0.53
DRD4 P21917 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
HPGD P15428 3/20 0.46
EPHX1 P07099 2/20 0.46
CCKBR P32239 1/20 0.46
KDM5A P29375 1/20 0.46
MCHR1 Q99705 3/20 0.44
EPHX2 P34913 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAMPT P43490 1/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.41
MC4R P32245 1/20 0.41

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
SCHEMBL14392388 1.00 SSTR1 (0.53) SSTR1SSTR4DRD4SIGMAR1HPGD
SCHEMBL360442 1.00 SSTR1 (0.53) SSTR1SSTR4DRD4SIGMAR1HPGD
SCHEMBL1908903 0.88 SSTR1 (0.67) SSTR1SSTR4DRD4HPGDEPHX1
SCHEMBL13242298 0.86 DRD4 (0.66) SSTR1SSTR4DRD4HPGDEPHX1
SCHEMBL14263126 0.81 SSTR1 (0.57) SSTR1SSTR4DRD4HPGDEPHX1
SCHEMBL14263134 0.81 DRD4 (0.55) SSTR1SSTR4DRD4HPGDEPHX1
SCHEMBL359497 0.80 ALDH1A1 (0.51) DRD4KMT2ANAMPT
SCHEMBL4981951 0.80 MCHR1 (0.56) SSTR4DRD4SIGMAR1HPGDEPHX1
SCHEMBL4981612 0.80 DRD4 (0.57) DRD4SIGMAR1HPGDEPHX1MCHR1
SCHEMBL1912322 0.79 EPHX2 (0.50) EPHX2MEN1KMT2ARAB9ASMN1; SMN2

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 25 patents — showing the first 20. 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
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
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-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP 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
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 (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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 SSTR1 105/4885SSTR4 199/4885DRD4 397/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 SSTR1 256/4885SSTR4 418/4885DRD4 352/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 SSTR1 1072/4885SSTR4 2054/4885DRD4 613/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 SSTR1 778/4885SSTR4 2104/4885DRD4 853/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SSTR1 256/4885SSTR4 418/4885DRD4 352/4885

“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.