SCHEMBL1908664

SCHEMBL1908664

CN1CC[C@@H](NC(=O)NCc2ccncn2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.43
SSTR4 P31391 4/20 0.43
MMP13 P45452 5/20 0.42
MAPK1 P28482 4/20 0.41
CYP2C19 P33261 1/20 0.41
SSTR1 P30872 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL357853 0.85 HPGD (0.50) SSTR4
SCHEMBL14391516 0.85 HPGD (0.50) SSTR4
SCHEMBL358475 0.83 NAMPT (0.64) NAMPTEPHX1MAPT
SCHEMBL359825 0.79 KDM5A (0.44) NAMPTSSTR4MAPK1SSTR1
SCHEMBL4975797 0.77 ALDH1A1 (0.52)
SCHEMBL359497 0.77 ALDH1A1 (0.51) NAMPTCYP2C19
SCHEMBL13242298 0.75 DRD4 (0.66) NAMPTEPHX1SSTR4SSTR1
SCHEMBL1908693 0.74 TACR1 (0.46) NAMPTSSTR4MMP13MAPK1
SCHEMBL1908655 0.74 EPHX1 (0.61) NAMPTEPHX1MAPK1
SCHEMBL1908718 0.73 DRD2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NAMPT 1763/4885EPHX1 1339/4885MAPT 3049/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 NAMPT 2644/4885EPHX1 1066/4885MAPT 4032/4885

“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.