SCHEMBL20986924

SCHEMBL20986924

O=C(O)N1CCCC(N2Cc3cc(Br)ccc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
KDM5A P29375 1/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
MCHR1 Q99705 1/20 0.36
MTR Q99707 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF2 Q9UKS7 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL3649461 0.85 SCN1A (0.41) KDM5ASDCBPSDC2MTRCSNK1A1
SCHEMBL20986440 0.84 FPR2 (0.54) CHRNA7FPR2PRMT5WDR77
SCHEMBL20986441 0.84 FPR2 (0.54) CHRNA7FPR2PRMT5WDR77
SCHEMBL20986457 0.83 HTR2A (0.47) KDM5APRMT5WDR77
SCHEMBL20986814 0.83 MAOA (0.39) KDM5AL3MBTL1CYP2C9ADRA1AHRH1
SCHEMBL787143 0.81 MAOA (0.42) CYP2C9ADRA1AHRH1MTRCRBN
SCHEMBL1500226 0.81 MAOA (0.42) SDCBPSDC2CYP2C9ADRA1AHRH1
SCHEMBL5946759 0.80 POLB (0.43) CYP2C9ADRA1AHRH1MTRCRBN
SCHEMBL20986364 0.79 KDM5A (0.39) KDM5AMTR
SCHEMBL16337692 0.79 BTK (0.46) KDM5AMTRCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 CHRNA7 865/4885KDM5A 1216/4885SDCBP 4718/4885

“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.