SCHEMBL5857776

SCHEMBL5857776

COc1cc(C(=O)Nc2ccc(N3CCN(CCO)CC3)c(C#N)c2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NPY2R P49146 1/20 0.46
P2RY12 Q9H244 4/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46

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
SCHEMBL5857353 0.84 HTR1A (0.52) MAPTSMN1; SMN2NPSR1HTR1ADRD2
SCHEMBL5858981 0.82 MAPT (0.47) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL5858896 0.80 MAPT (0.46) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL5857747 0.80 DRD3 (0.52) HTR2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5857634 0.77 ALOX15 (0.47) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6052512 0.75 NPC1 (0.55) MEN1HPGDKMT2ASMN1; SMN2NPY2R
SCHEMBL5858977 0.74 DRD2 (0.52) HTR2AHTR1ADRD2DRD3DRD1
SCHEMBL6052630 0.73 NPC1 (0.49) HTR2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5858973 0.73 HTT (0.55) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5857659 0.72 BACE1 (0.67) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2

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
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 HTR2A 3532/4885MEN1 4098/4885ALDH1A1 902/4885

“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.