SCHEMBL13375820

SCHEMBL13375820

CC(=O)CCC(=O)OC1C[C@H](n2cnc3c(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)ncnc32)OC1CO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.34

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
SCHEMBL16257648 1.00 ADORA3 (0.39) ADORA3ADORA2AADORA1CYP1A2HTR1A
SCHEMBL13213500 1.00 ADORA3 (0.39) ADORA3ADORA2AADORA1CYP1A2HTR1A
SCHEMBL13329959 0.89 SLC29A1 (0.45) ADORA3ADORA2AADORA1SLC29A1
SCHEMBL13360827 0.89 SLC29A1 (0.45) ADORA3ADORA2AADORA1SLC29A1
SCHEMBL13213648 0.89 KDM4E (0.47) KDM4E
SCHEMBL13930526 0.89 KDM4E (0.47) KDM4E
SCHEMBL13375771 0.83 ADORA1 (0.40) ADORA3ADORA2AADORA1CYP1A2LMNA
SCHEMBL13930528 0.83 POLB (0.50) KDM4E
SCHEMBL13213524 0.83 POLB (0.50) KDM4E
SCHEMBL13930534 0.81 ADORA1 (0.39) ADORA3ADORA2AADORA1SLC29A1

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-8288516-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method FUJITSU LIMITED (JP) 2012-10-16 — — US disclosed
US-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 — — 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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC ADORA3 28/4885ADORA2A 39/4885ADORA1 51/4885

“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.

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