SCHEMBL13633564

SCHEMBL13633564

CNC1CCN(C(=O)NC2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
GPR119 Q8TDV5 1/20 0.50
USP30 Q70CQ3 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH4 Q9H3N8 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
SCHEMBL13633600 1.00 LMNA (0.52) LMNAALDH1A1KDM4EGPR119USP30
SCHEMBL13633563 1.00 LMNA (0.52) LMNAALDH1A1KDM4EGPR119USP30
SCHEMBL1908744 0.83 LMNA (0.55) LMNAALDH1A1KDM4EGPR119POLB
Hydrochloric Acid SCHEMBL240066 0.82 KDM4E (0.51) LMNAALDH1A1KDM4EGPR119MAPT
SCHEMBL1913123 0.82 CA12 (0.52) LMNAALDH1A1KDM4EGPR119POLB
SCHEMBL13118511 0.81 HRH4 (0.57) CA12CA1CA2CA4CA7
SCHEMBL360521 0.81 KDM4E (0.54) ALDH1A1KDM4EGPR119MAPTPOLB
SCHEMBL13449930 0.80 LMNA (0.57) LMNAALDH1A1KDM4EGPR119POLB
SCHEMBL239933 0.80 GPR119 (0.63) LMNAALDH1A1KDM4EGPR119USP30
SCHEMBL13879006 0.80 LMNA (0.53) LMNAALDH1A1KDM4EGPR119POLB

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-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 US disclosed
US-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 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-20090281127-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 LMNA 3049/4885ALDH1A1 86/4885KDM4E 2869/4885

“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.