SCHEMBL31383530

SCHEMBL31383530

c1cc2cc(OCC3COC3)ccn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.42
DRD4 P21917 10/20 0.42
DRD3 P35462 10/20 0.42
HTR2A P28223 9/20 0.42
DRD1 P21728 8/20 0.42
DRD5 P21918 4/20 0.39
SCN5A Q14524 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HCRTR2 O43614 2/20 0.36
PIK3CD O00329 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33

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
SCHEMBL31383667 0.88 DRD2 (0.43) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL31383668 0.76 RET (0.35) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL23087424 0.75 DRD2 (0.46) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL31030378 0.73 DRD2 (0.47) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL31487829 0.72 MAPK14 (0.49) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3616028 0.71 DRD2 (0.51) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL3073748 0.70 SCN5A (0.46) DRD2DRD4DRD3HTR2ADRD1
SCHEMBL5481920 0.69 TDP1 (0.62) DRD2DRD4ALDH1A1TP53CYP3A4
SCHEMBL4278181 0.68 TP53 (0.50) DRD2DRD4GRM5ALDH1A1TP53
SCHEMBL22290928 0.68 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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-20250051363-A1 Substituted Pyrazolopyridines NEURO3 THERAPEUTICS INC (US) 2025-02-13 US disclosed
WO-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 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 (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-20250051363-A1 Substituted Pyrazolopyridines QDPR, DPYD, P2RX4 DRD2 2058/4885DRD4 1232/4885DRD3 1857/4885

“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.