SCHEMBL13890887

SCHEMBL13890887

CC1CCC(NC(=O)NC2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 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
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.51
DRD2 P14416 4/20 0.50
EPHX2 P34913 1/20 0.50
HSD17B10 Q99714 2/20 0.49
GPR119 Q8TDV5 1/20 0.48
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 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
SCHEMBL1908729 0.90 CKS1B (0.56) LMNAALDH1A1CA12CA1CA2
SCHEMBL1908744 0.90 LMNA (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL13449930 0.87 LMNA (0.57) LMNAALDH1A1CA12CA1CA2
SCHEMBL13879006 0.86 LMNA (0.53) LMNAALDH1A1CA12CA1CA2
SCHEMBL4233141 0.86 ALDH1A1 (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL12015977 0.85 CA12 (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL359214 0.85 CA12 (0.55) LMNAALDH1A1CA12CA1CA2
SCHEMBL2301058 0.84 CKS1B (0.60) LMNAALDH1A1CA12CA1CA2
SCHEMBL2001966 0.82 ALDH1A1 (0.60) LMNAALDH1A1CA12CA1CA2
SCHEMBL1919795 0.81 ALDH1A1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 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 (1 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 LMNA 4096/4885ALDH1A1 478/4885CA12 2195/4885

“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.