SCHEMBL21751220

SCHEMBL21751220

COc1ccc2c(c1)n1cccc1c(=O)n2CCCN1CCN(c2ccc(Cl)cc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ CX3CR1 P49238 1/20 0.49
▸ OPRK1 P41145 5/20 0.48
▸ TP53 P04637 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 1/20 0.41
▸ OPRM1 P35372 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL21751233 0.90 ADRB2 (0.56) ADRB2ADRA2ACX3CR1OPRK1TP53
SCHEMBL20551616 0.88 ADRB2 (0.63) ADRB2ADRA2ACX3CR1OPRK1TP53
SCHEMBL20553691 0.86 ADRB2 (0.52) ADRB2ADRA2ACX3CR1OPRK1TP53
SCHEMBL21751225 0.84 ADRB2 (0.50) ADRB2ADRA2ACX3CR1OPRK1TP53
SCHEMBL21755743 0.82 ADRB2 (0.75) ADRB2ADRA2ACX3CR1OPRK1TP53
SCHEMBL20551994 0.77 OPRK1 (0.53) ADRB2ADRA2AOPRK1TP53MAPT
SCHEMBL24410728 0.74 ADRB2 (0.73) ADRB2ADRA2ACX3CR1TP53MAPT
SCHEMBL24410079 0.73 OPRK1 (0.49) OPRK1TP53MAPTOPRM1HTR1A
SCHEMBL20552201 0.72 MCHR1 (0.38) ADRB2ADRA2AOPRK1MAPTHTR1A
SCHEMBL20553383 0.71 ADRB2 (0.70) ADRB2ADRA2ACX3CR1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 — — US claimed
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2026-05-19 — — US disclosed
US-20240409544-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS DREXEL UNIVERSITY 2024-12-12 — — US disclosed
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2024-11-26 — — US disclosed
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — US disclosed
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — US disclosed
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2022-03-08 — — US disclosed
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 — — 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 (6 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-20240409544-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 ADRB2 517/4885ADRA2A 527/4885CX3CR1 1/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 ADRB2 517/4885ADRA2A 527/4885CX3CR1 1/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 ADRB2 621/4885ADRA2A 689/4885CX3CR1 1/4885
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 ADRB2 597/4885ADRA2A 591/4885CX3CR1 1/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 ADRB2 250/4885ADRA2A 629/4885CX3CR1 1/4885
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 ADRB2 437/4885ADRA2A 493/4885CX3CR1 1/4885

“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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