SCHEMBL21755744

SCHEMBL21755744

COc1ccc2c(c1)n1cccc1c(=O)n2CCC=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ TP53 P04637 9/20 0.50
▸ MAPT P10636 6/20 0.50
▸ LMNA P02545 3/20 0.47
▸ RXFP1 Q9HBX9 6/20 0.46
▸ GRM2 Q14416 1/20 0.41
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL9912178 0.83 MAPT (0.53) POLBTP53MAPTLMNARXFP1
SCHEMBL15043471 0.82 POLB (0.48) POLBTP53MAPTLMNARXFP1
SCHEMBL24410737 0.81 MEN1 (0.56) POLBTP53MAPTLMNARXFP1
SCHEMBL15043478 0.79 POLB (0.51) POLBTP53MAPTLMNARXFP1
SCHEMBL9912175 0.78 TP53 (0.53) POLBTP53MAPTLMNARXFP1
SCHEMBL21755743 0.72 ADRB2 (0.75) POLBTP53MAPTLMNAOPRK1
SCHEMBL20551994 0.72 OPRK1 (0.53) POLBTP53MAPTLMNAOPRK1
SCHEMBL3405864 0.71 MAPT (0.48) MAPTRXFP1GRM2
SCHEMBL24120919 0.71 TP53 (0.70) POLBTP53MAPTLMNARXFP1
SCHEMBL21751220 0.70 ADRB2 (0.50) POLBTP53MAPTLMNAOPRK1

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-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — US disclosed
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 — — 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 (2 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-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 POLB 2949/4885TP53 1963/4885MAPT 1006/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 POLB 4422/4885TP53 1901/4885MAPT 796/4885

“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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