SCHEMBL4287716

SCHEMBL4287716

O=C(O)N1CCN[C@H](Cn2cncn2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.39
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
MC4R P32245 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB1 P08588 2/20 0.31

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
SCHEMBL3130493 0.82 GPR119 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL13705098 0.82 GPR119 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL4290754 0.78 CA1 (0.34) CA1CA2CA4CA9ADRB1
SCHEMBL4983491 0.76 ALDH1A1 (0.41) EGLN3ALDH1A1ADRB1
SCHEMBL4285907 0.76 ALDH1A1 (0.41) EGLN3ALDH1A1ADRB1
SCHEMBL4285903 0.76 ALDH1A1 (0.41) EGLN3ALDH1A1ADRB1
SCHEMBL4282115 0.75 CA1 (0.35) CA1CA2CA4CA9GAA
SCHEMBL2011996 0.71 REN (0.42) MAPTCA1CA2CA4CA9
SCHEMBL15005734 0.71 REN (0.42) MAPTCA1CA2CA4CA9
SCHEMBL2418102 0.71 REN (0.42) MAPTCA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EGLN3 1069/4885ALDH1A1 388/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EGLN3 1069/4885ALDH1A1 388/4885POLB 3799/4885

“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.