SCHEMBL20552201

SCHEMBL20552201

Cc1ccc2c(=O)n(CCCN3CCN(c4ccc(Cl)cc4)C(=O)C3)c3ccc(F)cc3n12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.38
▸ HTR7 P34969 3/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL20553691 0.83 ADRB2 (0.52) ADRB2ADRA2AMAPTOPRK1
SCHEMBL20553462 0.81 ADRB2 (0.56) MCHR1ADRB2ADRA2AHTR1ADRD2
SCHEMBL21751215 0.76 DRD4 (0.45) OPRK1
SCHEMBL21751233 0.75 ADRB2 (0.56) HTR7ADRB2ADRA2AHTR1AMAPT
SCHEMBL20551616 0.75 ADRB2 (0.63) HTR7ADRB2ADRA2AHTR1AMAPT
SCHEMBL31258553 0.72 ADRA1A (0.40) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL21751230 0.72 ADRA1A (0.40) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL21751225 0.72 ADRB2 (0.50) ADRB2ADRA2AMAPTOPRK1
SCHEMBL21751220 0.72 ADRB2 (0.50) HTR7ADRB2ADRA2AHTR1ADRD2
SCHEMBL24410084 0.65 OPRK1 (0.42) ADRB2ADRA2AMAPTOPRK1

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 10 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
WO-2018204370-A1 CX3CR1 SMALL MOLECULE ANTAGONISTS, AND METHODS USING SAME DREXEL UNIVERSITY (US) 2018-11-08 — — 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 (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 MCHR1 988/4885HTR7 568/4885ADRB2 517/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 MCHR1 988/4885HTR7 568/4885ADRB2 517/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 MCHR1 704/4885HTR7 712/4885ADRB2 621/4885
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 MCHR1 826/4885HTR7 598/4885ADRB2 597/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 MCHR1 481/4885HTR7 464/4885ADRB2 250/4885
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 MCHR1 1020/4885HTR7 583/4885ADRB2 437/4885

“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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