SCHEMBL1908729

SCHEMBL1908729

CC(=O)N[C@H]1CC[C@H](NC(=O)NC2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.56
SKP1 P63208 1/20 0.56
SKP2 Q13309 1/20 0.56
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
KDM4E B2RXH2 1/20 0.51
SMO Q99835 1/20 0.51
DRD2 P14416 5/20 0.50
EPHX2 P34913 1/20 0.50
GPR119 Q8TDV5 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD3 P35462 2/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL2301058 0.95 CKS1B (0.60) CKS1BSKP1SKP2LMNAALDH1A1
SCHEMBL13890887 0.90 LMNA (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL1908744 0.90 LMNA (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL13148708 0.87 CA12 (0.59) CKS1BSKP1SKP2ALDH1A1CA12
SCHEMBL13449930 0.87 LMNA (0.57) CKS1BSKP1SKP2LMNAALDH1A1
SCHEMBL13879006 0.86 LMNA (0.53) LMNAALDH1A1CA12CA1CA2
SCHEMBL4233141 0.86 ALDH1A1 (0.55) CKS1BSKP1SKP2LMNAALDH1A1
SCHEMBL1908712 0.85 ALDH1A1 (0.53) CKS1BSKP1SKP2LMNAALDH1A1
SCHEMBL12015977 0.85 CA12 (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL359214 0.85 CA12 (0.55) LMNAALDH1A1CA12CA1CA2

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 CKS1B 3515/4885SKP1 3653/4885SKP2 3010/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 CKS1B 3171/4885SKP1 2916/4885SKP2 2461/4885

“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.