SCHEMBL14294338

SCHEMBL14294338

CCCNCCOc1ccc(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
DRD4 P21917 9/20 0.46
DRD3 P35462 8/20 0.46
HTR1B P28222 1/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8282593 0.82 CCR1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL4902867 0.82 HTR1B (0.44) DRD2DRD4DRD3HTR1BMEN1
SCHEMBL20381746 0.80 MAPT (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL14269836 0.80 HTR1B (0.42) HTR1BHTR1AL3MBTL1ADRA1DADRA1A
SCHEMBL13456503 0.79 L3MBTL4 (0.47) DRD2DRD4DRD3HTR1BALDH1A1
SCHEMBL14182464 0.79 CYP3A4 (0.50) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL13412644 0.77 CYP3A4 (0.52) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL16425598 0.77 CYP3A4 (0.52) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL20204118 0.76 DRD2 (0.43) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL21383973 0.75 NPC1 (0.45) MEN1KMT2AHTR1AALDH1A1L3MBTL1

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-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 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-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE DRD2 135/4885DRD4 292/4885DRD3 214/4885

“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.