SCHEMBL6080359

SCHEMBL6080359

Cc1c(C(=O)O)nc2c(N3CCN(Cc4ccccc4)CC3)cccc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
NCF1 P14598 1/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.41
PRMT1 Q99873 1/20 0.41
POLB P06746 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL6080132 0.90 HRH4 (0.46)
SCHEMBL6592999 0.81 DRD2 (0.48) BACE1NCF1DRD2DRD4DRD3
SCHEMBL6080462 0.81 BACE1 (0.47) BACE1DRD2DRD4DRD3HIF1A
SCHEMBL6081200 0.80 ALDH1A1 (0.46) BACE1DRD2DRD4DRD3PRMT1
SCHEMBL6079907 0.79 PTGER1 (0.43)
SCHEMBL6081024 0.79 ALDH1A1 (0.43)
SCHEMBL6080313 0.77 TSHR (0.41)
SCHEMBL6080492 0.77 HRH3 (0.39) HIF1APOLB
SCHEMBL6080355 0.76 BACE1 (0.49) BACE1NCF1DRD2DRD4DRD3
SCHEMBL6080654 0.75 LTB4R (0.41)

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL BACE1 1921/4885NCF1 2953/4885DRD2 2770/4885

“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.