SCHEMBL7791946

SCHEMBL7791946

O=C(CC1(O)CCC(CCN2CCN(c3ccncc3)CC2)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
HRH3 Q9Y5N1 7/20 0.43
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
HTR7 P34969 1/20 0.39
DRD4 P21917 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2A P28223 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
SCHEMBL7790821 0.86 CYP2D6 (0.42) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7791942 0.85 ITGB3 (0.48) DRD2DRD3ITGB3ITGA2BHTR7
SCHEMBL7790321 0.84 DRD2 (0.46) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL7788333 0.84 DRD2 (0.51) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL7791944 0.81 ITGB3 (0.46) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL7782696 0.78 ITGB3 (0.48) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL7790806 0.76 DRD4 (0.47) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL7791952 0.76 DRD4 (0.47) DRD2DRD3HRH3ITGB3ITGA2B
SCHEMBL1025273 0.74 ITGB3 (0.45) HRH3ITGB3ITGA2B
SCHEMBL7788361 0.73 ITGB3 (0.47) DRD2DRD3ITGB3ITGA2B

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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 DRD2 752/4885DRD3 326/4885HRH3 193/4885

“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.