SCHEMBL20551968

SCHEMBL20551968

O=c1c2cccn2c2ccccc2n1CCCN1CCN(c2cncnc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ CX3CR1 P49238 1/20 0.54
▸ OPRK1 P41145 9/20 0.50
▸ DRD3 P35462 1/20 0.45
▸ OPRM1 P35372 3/20 0.45
▸ HTR7 P34969 3/20 0.45
▸ HTR1A P08908 2/20 0.42

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
SCHEMBL20551988 0.88 ADRB2 (0.56) ADRB2ADRA2ACX3CR1OPRK1DRD3
SCHEMBL20551994 0.86 OPRK1 (0.53) ADRB2ADRA2AOPRK1OPRM1HTR7
SCHEMBL20553531 0.83 OPRK1 (0.58) ADRB2ADRA2ACX3CR1OPRK1DRD3
SCHEMBL21751222 0.81 OPRM1 (0.54) ADRB2ADRA2ACX3CR1OPRK1DRD3
SCHEMBL20553530 0.79 ADRB2 (0.56) ADRB2ADRA2ACX3CR1OPRK1HTR7
SCHEMBL20551971 0.78 ADRB2 (0.53) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL21751214 0.78 ADRB2 (0.58) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL29424028 0.78 ADRB2 (0.58) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL20553400 0.77 OPRK1 (0.59) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL20553700 0.77 ADRB2 (0.55) ADRB2ADRA2ACX3CR1OPRK1OPRM1

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 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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