SCHEMBL5620580

SCHEMBL5620580

c1ccc2c(c1)C[C@H]1CC[C@@H](C2)N(Cc2cnc3ccccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
FAAH O00519 3/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
DOCK5 Q9H7D0 1/20 0.37
HTR3A P46098 1/20 0.37

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 0.86 CHKA (0.45) HCRTR1HCRTR2KCNH2
SCHEMBL5622870 0.82 ACHE (0.44) DRD2DRD3KCNH2
SCHEMBL5621600 0.82 ACHE (0.44) DRD2DRD3KCNH2
SCHEMBL5622795 0.80 PDE2A (0.39) DRD2DRD3KCNH2
SCHEMBL14458480 0.78 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL5620557 0.78 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL5622611 0.78 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL5620609 0.78 KMT2A (0.47) DRD2DRD3KCNH2FAAHHTR3A
SCHEMBL5622208 0.77 DRD2 (0.39) HCRTR1HCRTR2DRD2DRD3KCNH2
SCHEMBL5622497 0.76 CYP19A1 (0.45) DRD2DRD3KCNH2

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 DPP4 926/4885DPP8 842/4885HCRTR1 1413/4885

“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.