SCHEMBL3964523

SCHEMBL3964523

O=C1CCc2cc(OCC3CCCC3)c(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MCHR1 Q99705 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
BRD4 O60885 1/20 0.38
GSTP1 P09211 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
C5AR1 P21730 1/20 0.37
FABP4 P15090 1/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL3962220 0.83 PTGS2 (0.46) MCHR1SLC6A2GSTP1IKBKBCHUK
SCHEMBL3968839 0.81 MAOB (0.48) MAOAMAOBGSTP1GPR84IKBKB
SCHEMBL3688746 0.76 C5AR1 (0.42) MAOAMAOBMCHR1SLC6A2SLC6A4
SCHEMBL3682912 0.74 THRA (0.46) C5AR1
SCHEMBL4195204 0.73 GSTP1 (0.50) SLC6A2SLC6A4GSTP1
SCHEMBL1034102 0.72 HSD17B1 (0.51) MAOAMAOBPARP15PARP10
SCHEMBL3688732 0.72 BRD4 (0.43) MCHR1BRD4C5AR1MAPK10
SCHEMBL3888439 0.72 FFAR4 (0.54) SLC6A2SLC6A4KCNH2C5AR1
SCHEMBL1033318 0.71 MAOA (0.46) MAOAMAOBBRD4PARP15PARP10
SCHEMBL3883274 0.71 FFAR4 (0.55) SLC6A2SLC6A4KCNH2C5AR1

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 MAOA 955/4885MAOB 880/4885MCHR1 774/4885

“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.