SCHEMBL1908693

SCHEMBL1908693

CN1CC[C@@H](NC(=O)NCc2ccnc3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.46
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
SSTR4 P31391 1/20 0.44
DRD4 P21917 1/20 0.44
TACR3 P29371 1/20 0.44
ATG4B Q9Y4P1 1/20 0.43
MAPK1 P28482 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL13242298 0.80 DRD4 (0.66) SSTR4DRD4NAMPT
SCHEMBL357853 0.80 HPGD (0.50) SSTR4
SCHEMBL14391516 0.80 HPGD (0.50) SSTR4
SCHEMBL358475 0.78 NAMPT (0.64) DRD4NAMPT
SCHEMBL359497 0.76 ALDH1A1 (0.51) DRD4NAMPT
SCHEMBL1908664 0.74 NAMPT (0.47) MMP13SSTR4MAPK1NAMPT
SCHEMBL357690 0.73 SSTR1 (0.53) SSTR4DRD4NAMPT
SCHEMBL14392388 0.73 SSTR1 (0.53) SSTR4DRD4NAMPT
SCHEMBL360442 0.73 SSTR1 (0.53) SSTR4DRD4NAMPT
SCHEMBL1908903 0.73 SSTR1 (0.67) SSTR4DRD4

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 TACR1 70/4885MMP2 4088/4885MMP13 4220/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 TACR1 79/4885MMP2 3233/4885MMP13 2062/4885

“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.