SCHEMBL2644722

SCHEMBL2644722

CC(C)NCC(=O)N1[CH]CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
GRM7 Q14831 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2645265 0.95 DPP4 (0.42) DPP4GRM7ALDH1A1
SCHEMBL2645548 0.82 ATM (0.32) SMN1; SMN2ALDH1A1RAB9AATMMEN1
SCHEMBL2645433 0.77 DPP4 (0.43) DPP4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2645234 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2644912 0.76 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1ATMMEN1KMT2A
SCHEMBL2645771 0.75 ALDH1A1 (0.36) ALDH1A1ATMKMT2ATSHR
SCHEMBL2646658 0.74 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1RAB9AATMMEN1
SCHEMBL2645015 0.74 ATM (0.37) SMN1; SMN2ALDH1A1ATMMEN1KMT2A
SCHEMBL2645027 0.74 DPP4 (0.47) DPP4SMN1; SMN2ALDH1A1RAB9AATM
SCHEMBL7837036 0.73 L3MBTL1 (0.53) SMN1; SMN2ALDH1A1ATMMEN1KMT2A

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 91/4885GRM7 2274/4885SMN1; SMN2 832/4885

“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.