SCHEMBL31258553

SCHEMBL31258553

Cc1ccc2c(=O)n(CCCN3CCN(c4ccc(=O)[nH]n4)CC3)c3ccc(F)cc3n12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 6/20 0.40
▸ ADRA1B P35368 6/20 0.40
▸ ADRA1D P25100 5/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD1 P21728 3/20 0.38
▸ DRD5 P21918 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL21751230 1.00 ADRA1A (0.40) ADRA1AADRA1BADRA1DPLK1DRD2
SCHEMBL20553443 0.83 OPRK1 (0.50) —
SCHEMBL21751215 0.82 DRD4 (0.45) DRD4SLC6A4
SCHEMBL20553462 0.74 ADRB2 (0.56) ADRA1AADRA1BADRA1DDRD2DRD1
SCHEMBL20551971 0.73 ADRB2 (0.53) HTR7
SCHEMBL21751224 0.72 ADRA2A (0.52) ADRA1AADRA1DDRD2DRD1DRD3
SCHEMBL20552201 0.72 MCHR1 (0.38) ADRA1ADRD2DRD1DRD5DRD3
SCHEMBL24410084 0.72 OPRK1 (0.42) —
SCHEMBL20552725 0.72 ADRA2A (0.42) ADRA1ADRD2DRD1DRD3HTR1A
SCHEMBL6844257 0.65 HTR7 (0.50) DRD2DRD1DRD5DRD3HTR1A

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-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

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-20240409544-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 ADRA1A 480/4885ADRA1B 489/4885ADRA1D 387/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 ADRA1A 233/4885ADRA1B 299/4885ADRA1D 169/4885

“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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