SCHEMBL4288563

SCHEMBL4288563

COC1CCN(Cc2ccc(N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GRM2 Q14416 1/20 0.43
MCHR1 Q99705 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CXCR3 P49682 1/20 0.41

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
SCHEMBL13343762 1.00 LTA4H (0.54) LTA4HLMNAALDH1A1GRM2MCHR1
SCHEMBL3158273 0.90 LMNA (0.57) LTA4HLMNAALDH1A1SIGMAR1HRH3
SCHEMBL18082551 0.86 LTA4H (0.55) LTA4HLMNAALDH1A1SIGMAR1
SCHEMBL21092817 0.85 LTA4H (0.52) LTA4HALDH1A1HRH3
SCHEMBL1241949 0.84 LTA4H (0.54) LTA4HALDH1A1SIGMAR1HRH3OPRM1
SCHEMBL1240977 0.84 LTA4H (0.54) LTA4HALDH1A1SIGMAR1HRH3OPRM1
SCHEMBL1240978 0.84 LTA4H (0.54) LTA4HALDH1A1SIGMAR1HRH3OPRM1
SCHEMBL3271398 0.84 LTA4H (0.60) LTA4HALDH1A1MCHR1SIGMAR1
SCHEMBL4512639 0.84 LTA4H (0.60) LTA4HALDH1A1MCHR1SIGMAR1
SCHEMBL15156984 0.84 LTA4H (0.48) LTA4HGRM2MCHR1SIGMAR1

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 LTA4H 2746/4885LMNA 3429/4885ALDH1A1 1389/4885

“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.