SCHEMBL4126027

SCHEMBL4126027

CC(C)c1nnnn1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.65
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.56
DRD2 P14416 9/20 0.56
DRD3 P35462 8/20 0.56
POLB P06746 1/20 0.55
SIGMAR1 Q99720 2/20 0.52
KCNH2 Q12809 1/20 0.52
ACHE P22303 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9278989 0.79 DRD4 (1.00) DRD4ALDH1A1TSHRDRD2DRD3
Hydrochloric Acid SCHEMBL8482360 0.78 DRD4 (0.97) DRD4ALDH1A1DRD2DRD3POLB
SCHEMBL4131541 0.77 CCR5 (0.52) DRD4DRD2DRD3SIGMAR1KCNH2
SCHEMBL4138110 0.76 CCR5 (0.46) ALDH1A1TSHRPOLBKCNH2
SCHEMBL9963184 0.75 ALDH1A1 (0.51) ALDH1A1TSHRHTTL3MBTL1
SCHEMBL4146778 0.74 DRD4 (0.70) DRD4ALDH1A1DRD2DRD3SIGMAR1
SCHEMBL23136906 0.72 ALDH1A1 (0.57) ALDH1A1TSHRHTTL3MBTL1
SCHEMBL23136905 0.72 ALDH1A1 (0.60) ALDH1A1TSHRHTTL3MBTL1
SCHEMBL11100678 0.72 ALDH1A1 (0.73) DRD4ALDH1A1DRD2DRD3POLB
SCHEMBL8484877 0.72 DRD4 (1.00) DRD4ALDH1A1DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
EP-1963303-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2008-09-03 EP disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 DRD4 361/4885ALDH1A1 1442/4885TSHR 859/4885

“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.