SCHEMBL3873555

SCHEMBL3873555

CC#CCn1c(=O)[nH]c2nc(Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.37
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP13 P45452 3/20 0.33
ADAM17 P78536 3/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KCNH2 Q12809 2/20 0.33
GBA1 P04062 2/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
MMP1 P03956 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 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
SCHEMBL3885644 0.84 KIT (0.50) KITACHEMMP13ADAM17DDB1
SCHEMBL3875573 0.82 DPP4 (0.39) CNR1CNR2NR1H2NR1H3
SCHEMBL2952546 0.78 DPP4 (0.45) KCNH2
SCHEMBL3879335 0.77 NR1H2 (0.34) ACHEHTTSMN1; SMN2NPSR1KCNH2
SCHEMBL5719063 0.76 DPP4 (0.37) ACHEKCNH2
SCHEMBL5718830 0.76 DPP4 (0.40) KITACHESMN1; SMN2MMP13ADAM17
SCHEMBL2961332 0.75 KCNH2 (0.39) HTTSMN1; SMN2NPSR1KCNH2
SCHEMBL2959511 0.74 KCNH2 (0.40) ACHEHTTSMN1; SMN2NPSR1KCNH2
SCHEMBL13876131 0.74 KIT (0.43) KITACHEHTTSMN1; SMN2NPSR1
SCHEMBL2952903 0.74 DPP4 (0.47) ACHESMN1; SMN2

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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20060111362-A1 1,3-Dihydroimidazole ring compound EISAI CO., LTD. (JP) 2006-05-25 US disclosed
EP-1568699-A1 1,3-DIHYDROIMIDAZOLE FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2005-08-31 EP 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-20060111362-A1 1,3-Dihydroimidazole ring compound NR2C2, NR0B2, DPP4 KIT 4046/4885ACHE 716/4885HTT 4470/4885

“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.