SCHEMBL3963804

SCHEMBL3963804

O=C1CCc2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.51
MAOA P21397 9/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
PTPN1 P18031 2/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
GRM5 P41594 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4192600 0.88 MAOB (0.56) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL7429220 0.83 MAOB (0.51) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL3970008 0.82 CHRNA7 (0.56) MAOBMAOAHTR2AHTR2C
SCHEMBL4814842 0.82 CHRNA7 (0.56) MAOBMAOAHTR2AHTR2C
SCHEMBL7278343 0.80 MAOA (0.68) MAOBMAOAMRGPRX4
SCHEMBL3968839 0.77 MAOB (0.48) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL20234906 0.76 MAOA (0.62) MAOBMAOAMRGPRX4
SCHEMBL9620892 0.76 MAOB (0.59) MAOBMAOAMRGPRX4
SCHEMBL327001 0.75 MAOB (0.84) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL2524800 0.75 MAOB (0.84) MAOBMAOARAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MAOB 880/4885MAOA 955/4885HTR2A 760/4885

“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.