SCHEMBL21751224

SCHEMBL21751224

O=c1ccc(N2CCN(CCCn3c(=O)c4cccn4c4cc(Cl)ccc43)CC2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ CX3CR1 P49238 1/20 0.52
▸ OPRK1 P41145 3/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTR7 P34969 2/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ LMNA P02545 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
SCHEMBL20551971 0.89 ADRB2 (0.53) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL20553443 0.89 OPRK1 (0.50) ADRA2AADRB2CX3CR1OPRK1MAPT
SCHEMBL20552725 0.86 ADRA2A (0.42) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL20553700 0.82 ADRB2 (0.55) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL24410084 0.78 OPRK1 (0.42) ADRA2AADRB2CX3CR1OPRK1MAPT
SCHEMBL21751214 0.77 ADRB2 (0.58) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL29424028 0.77 ADRB2 (0.58) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL21751233 0.75 ADRB2 (0.56) ADRA2AADRB2CX3CR1OPRK1OPRM1
SCHEMBL21751230 0.72 ADRA1A (0.40) HTR7HTR1AHTR2CDRD2DRD1
SCHEMBL31258553 0.72 ADRA1A (0.40) HTR7HTR1AHTR2CDRD2DRD1

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 ADRA2A 527/4885ADRB2 517/4885CX3CR1 1/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 ADRA2A 527/4885ADRB2 517/4885CX3CR1 1/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 ADRA2A 689/4885ADRB2 621/4885CX3CR1 1/4885
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 ADRA2A 591/4885ADRB2 597/4885CX3CR1 1/4885
US-12630555-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCL2, CCR2 ADRA2A 629/4885ADRB2 250/4885CX3CR1 1/4885
US-12152036-B2 Substituted pyrrolo[1,2-α]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 ADRA2A 493/4885ADRB2 437/4885CX3CR1 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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