SCHEMBL10152840

SCHEMBL10152840

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
CALML3 P27482 5/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAOB P27338 5/20 0.35
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2E1 P05181 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33

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
SCHEMBL10152836 0.91 CALML3 (0.48) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL13589343 0.86 MAOA (0.36) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL10151605 0.86 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13101122 0.86 MAOA (0.54) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL10152837 0.86 MAOB (0.37) MAOACALML3MAOBGRM2
SCHEMBL10151606 0.84 MAOA (0.41) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10152835 0.84 MAOB (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13367796 0.82 MAOA (0.41) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL10151969 0.77 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13101292 0.77 MAOA (0.54) MAOACYP3A4CYP2D6MAOBKCNH2

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 MAOA 2965/4885CALML3 2152/4885CYP3A4 491/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 MAOA 1563/4885CALML3 4573/4885CYP3A4 85/4885

“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.