SCHEMBL7001177

SCHEMBL7001177

O=c1[nH]c(=O)n2c3c(cccc13)C(O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
OPRM1 P35372 2/20 0.44
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HTR3A P46098 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
JAK3 P52333 3/20 0.34
MAT2A P31153 1/20 0.32
POLL Q9UGP5 1/20 0.31

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
SCHEMBL7004728 0.85 HTR1A (0.38) ADRB2OPRM1CDK4CCND1HDAC6
SCHEMBL7005390 0.82 CDK4 (0.53) ADRB2OPRM1CDK4CCND1HDAC6
SCHEMBL7005717 0.80 CDK4 (0.41) ADRB2OPRM1CDK4CCND1HDAC6
Hydrochloric Acid SCHEMBL7004798 0.79 CDK4 (0.41) ADRB2OPRM1CDK4CCND1HDAC6
SCHEMBL7002488 0.77 CDK4 (0.39) ADRB2OPRM1CDK4CCND1DRD2
SCHEMBL14194309 0.75 ADRB2 (0.60) ADRB2OPRM1HTR3ADRD2DRD3
SCHEMBL10809759 0.75 ADRB2 (0.60) ADRB2OPRM1HTR3ADRD2DRD3
SCHEMBL29947861 0.71 ADRB2 (0.33) ADRB2OPRM1HTR3AKDM4E
SCHEMBL6999859 0.71 KMT2A (0.50) CDK4CCND1DRD2HTR1AKDM4E
SCHEMBL6581005 0.70 POLL (0.39) ADRB2OPRM1BCHEACHECDK4

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-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 ADRB2 1295/4885OPRM1 822/4885BCHE 3557/4885

“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.