SCHEMBL5622795

SCHEMBL5622795

c1ccc2c(c1)C[C@H]1CC[C@@H](C2)N(Cc2ccc3cccnc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
KCNH2 Q12809 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA7 P36544 1/20 0.37
CYP3A4 P08684 1/20 0.36
CHKA P35790 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MET P08581 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 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
SCHEMBL5621549 0.91 CHKA (0.45) KCNH2CHRNA7CHKASLC6A2SLC6A4
SCHEMBL5621600 0.85 ACHE (0.44) KCNH2DRD2DRD3CHKAHRH3
SCHEMBL5622870 0.85 ACHE (0.44) KCNH2DRD2DRD3CHKAHRH3
SCHEMBL5620580 0.80 DPP4 (0.41) KCNH2DRD2DRD3
SCHEMBL5622208 0.78 DRD2 (0.39) PDE2AKCNH2DRD2DRD3CYP3A4
SCHEMBL5621578 0.77 DRD2 (0.39) KCNH2DRD2DRD3ALDH1A1KMT2A
SCHEMBL5622953 0.77 DRD2 (0.39) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL5622887 0.77 MEN1 (0.41) KCNH2DRD2DRD3MEN1ALDH1A1
SCHEMBL5622497 0.77 CYP19A1 (0.45) KCNH2DRD2DRD3
SCHEMBL5622611 0.76 DRD2 (0.46) KCNH2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US claimed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 PDE2A 1149/4885KCNH2 1155/4885DRD2 1517/4885

“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.