SCHEMBL29424028

SCHEMBL29424028

O=c1c2cccn2c2ccccc2n1CCCN1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CX3CR1 P49238 1/20 0.57
▸ VEGFA P15692 2/20 0.46
▸ EGLN1 Q9GZT9 2/20 0.46
▸ OPRK1 P41145 6/20 0.44
▸ THRB P10828 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ OPRM1 P35372 2/20 0.40
▸ BPTF Q12830 1/20 0.40

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
SCHEMBL21751214 1.00 ADRB2 (0.58) ADRB2ADRA2ACX3CR1VEGFAEGLN1
SCHEMBL20551971 0.82 ADRB2 (0.53) ADRB2ADRA2ACX3CR1OPRK1MAPT
SCHEMBL20551988 0.78 ADRB2 (0.56) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL20552914 0.78 DRD4 (0.50) ADRB2ADRA2ACX3CR1OPRK1MAPT
SCHEMBL6846822 0.78 HTR7 (0.65) OPRK1OPRM1
SCHEMBL20551968 0.78 ADRB2 (0.55) ADRB2ADRA2ACX3CR1OPRK1OPRM1
SCHEMBL21751224 0.77 ADRA2A (0.52) ADRB2ADRA2ACX3CR1OPRK1THRB
SCHEMBL20553531 0.76 OPRK1 (0.58) ADRB2ADRA2ACX3CR1OPRK1THRB
SCHEMBL20553530 0.76 ADRB2 (0.56) ADRB2ADRA2ACX3CR1OPRK1MAPT
SCHEMBL21751222 0.74 OPRM1 (0.54) ADRB2ADRA2ACX3CR1OPRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists DREXEL UNIVERSITY (US) 2022-03-08 — — 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 (1 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-11267817-B2 Substituted pyrrolo[1,2-a]quinoxalin-4(5H)-ones as CX3CR1 antagonists CX3CR1, CCR5, CCL2 ADRB2 597/4885ADRA2A 591/4885CX3CR1 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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