SCHEMBL10152836

SCHEMBL10152836

O=C1O[C@@H](CO)CN1c1cc(F)c(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
MAOA P21397 6/20 0.42
MAOB P27338 3/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10152840 0.91 MAOA (0.39) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL10151605 0.87 MAOA (0.51) CALML3MAOAMAOB
SCHEMBL13589343 0.86 MAOA (0.36) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL10151606 0.86 MAOA (0.41) CALML3MAOAMAOB
SCHEMBL10152837 0.86 MAOB (0.37) CALML3MAOAMAOB
SCHEMBL13101122 0.86 MAOA (0.54) MAOAMAOBCYP3A4CYP2D6
SCHEMBL10152835 0.85 MAOB (0.42) CALML3MAOAMAOB
SCHEMBL13367796 0.82 MAOA (0.41) CALML3MAOAMAOBCYP3A4CYP2D6
SCHEMBL10151969 0.79 MAOA (0.51) CALML3MAOAMAOB
SCHEMBL10151971 0.78 MAOA (0.41) CALML3MAOAMAOB

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-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 CALML3 2152/4885MAOA 2965/4885MAOB 2611/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 CALML3 4573/4885MAOA 1563/4885MAOB 1404/4885

“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.