SCHEMBL3138158

SCHEMBL3138158

O=C1CCCCc2ccoc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PRKCI P41743 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
STAT1 P42224 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.33
PTPRC P08575 1/20 0.32
CDC25B P30305 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL7916934 0.96 MAOA (0.42) MAOAMAOBCYP2A6SMN1; SMN2HSD17B10
SCHEMBL15844709 0.86
SCHEMBL8194619 0.82 MAOA (0.33) MAOAMAOBCYP2A6SMN1; SMN2HSD17B10
SCHEMBL10198693 0.70
SCHEMBL13315856 0.70 PTPRC (0.32) PTPRC
SCHEMBL72251 0.67
SCHEMBL22606094 0.65 SLC6A2 (0.32) MAOAMAOBKDM4E
SCHEMBL22606205 0.65 HPGD (0.43) HSD17B10PKMHTTNPSR1TSHR
SCHEMBL22606096 0.65 ALDH1A1 (0.38) MAOASMN1; SMN2HSD17B10HTTNPSR1
SCHEMBL10159217 0.65 NPC1 (0.31) SMN1; SMN2HSD17B10NPC1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US disclosed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 MAOA 1747/4885MAOB 971/4885CYP2A6 301/4885

“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.