SCHEMBL2644552

SCHEMBL2644552

CCCNCC(=O)N1[CH]CCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
CYP2D6 P10635 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PAOX Q6QHF9 1/20 0.30

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
SCHEMBL2645433 0.95 DPP4 (0.43) DPP4CYP2D6MEN1KMT2AGAA
SCHEMBL2645234 0.79 SMN1; SMN2 (0.30)
SCHEMBL2645151 0.78 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1TDP1
SCHEMBL2646081 0.76
SCHEMBL2645265 0.76 DPP4 (0.42) DPP4
SCHEMBL2645548 0.74 ATM (0.32) MEN1KMT2AL3MBTL1TDP1
SCHEMBL2646670 0.73 DPP4 (0.50) DPP4CYP2D6MEN1KMT2AL3MBTL1
SCHEMBL20095024 0.73 DPP4 (0.50) DPP4CYP2D6MEN1KMT2AL3MBTL1
SCHEMBL2646658 0.73 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1TDP1
SCHEMBL7837036 0.72 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1TDP1

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 DPP4 91/4885CYP2D6 1491/4885MEN1 4085/4885

“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.