SCHEMBL15599596

SCHEMBL15599596

N[C@H]1CC[C@H](n2c(=O)oc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.54
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HSD11B1 P28845 3/20 0.46
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLD1 Q13393 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15599591 1.00 TNKS (0.54) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL16989701 1.00 TNKS (0.54) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL16997531 0.84 TNKS (0.57) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL830500 0.81 TNKS (0.51) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL16456354 0.81 TNKS (0.54) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL16455967 0.81 TNKS (0.54) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL22605448 0.80 ADRA1D (0.57) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL15574998 0.79 CHRM4 (0.50) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL13801284 0.79 CHRM4 (0.52) TNKSCHRM4CHRM5CHRM1MAPK1
SCHEMBL15575356 0.77 TNKS (0.57) TNKSCHRM4CHRM5CHRM1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 WO 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 TNKS 1/4885CHRM4 4741/4885CHRM5 4817/4885

“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.