SCHEMBL1908665

SCHEMBL1908665

CN1CC[C@@H](NC(=O)NCc2ccc(C(=N)N)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.49
EPHX1 P07099 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
DRD4 P21917 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL1908695 0.87 DRD4 (0.52) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL1908724 0.85 SMN1; SMN2 (0.50) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL13242298 0.83 DRD4 (0.66) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL358475 0.81 NAMPT (0.64) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL15624767 0.78 F2 (0.57) F2
SCHEMBL4978994 0.76 SMN1; SMN2 (0.72) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL1908903 0.75 SSTR1 (0.67) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL360442 0.75 SSTR1 (0.53) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL357690 0.75 SSTR1 (0.53) EPHX1DRD4HPGDRAB9ASMN1; SMN2
SCHEMBL14392388 0.75 SSTR1 (0.53) EPHX1DRD4HPGDRAB9ASMN1; 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 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 F2 2149/4885EPHX1 1339/4885PRSS1 3379/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 F2 981/4885EPHX1 1066/4885PRSS1 2660/4885

“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.