SCHEMBL13879006

SCHEMBL13879006

CN[C@H]1CCC(NC(=O)NC2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
DRD2 P14416 5/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
KDM4E B2RXH2 2/20 0.48
EPHX2 P34913 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL1908744 0.94 LMNA (0.55) LMNAALDH1A1DRD2CA12CA1
SCHEMBL1908729 0.86 CKS1B (0.56) LMNAALDH1A1DRD2CA12CA1
SCHEMBL13890887 0.86 LMNA (0.55) LMNAALDH1A1DRD2CA12CA1
SCHEMBL13449930 0.86 LMNA (0.57) LMNAALDH1A1DRD2CA12CA1
SCHEMBL1913123 0.83 CA12 (0.52) LMNAALDH1A1DRD2CA12CA1
SCHEMBL4233141 0.83 ALDH1A1 (0.55) LMNAALDH1A1DRD2CA12CA1
SCHEMBL359214 0.82 CA12 (0.55) LMNAALDH1A1DRD2CA12CA1
SCHEMBL12015977 0.82 CA12 (0.55) LMNAALDH1A1DRD2CA12CA1
SCHEMBL360521 0.82 KDM4E (0.54) ALDH1A1DRD2KDM4EGPR119DRD3
SCHEMBL2301058 0.81 CKS1B (0.60) LMNAALDH1A1DRD2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 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-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885ALDH1A1 166/4885DRD2 651/4885

“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.