SCHEMBL4285907

SCHEMBL4285907

O=C(O)N1CCN[C@H](Cn2ccnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADRB1 P08588 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
CYP2B6 P20813 1/20 0.38
CYP19A1 P11511 1/20 0.37
TBXAS1 P24557 11/20 0.36

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
SCHEMBL4983491 1.00 ALDH1A1 (0.41) ALDH1A1ADRB1EGLN3CYP2B6CYP19A1
SCHEMBL4285903 1.00 ALDH1A1 (0.41) ALDH1A1ADRB1EGLN3CYP2B6CYP19A1
SCHEMBL13705096 0.82 GPR119 (0.39) ALDH1A1CYP19A1
SCHEMBL3493853 0.82 GPR119 (0.39) ALDH1A1CYP19A1
SCHEMBL4290754 0.76 CA1 (0.34) ADRB1
SCHEMBL4287716 0.76 EGLN3 (0.39) ALDH1A1ADRB1EGLN3
SCHEMBL15005734 0.71 REN (0.42) ADRB1
SCHEMBL2011996 0.71 REN (0.42) ADRB1
SCHEMBL2418102 0.71 REN (0.42) ADRB1
SCHEMBL5096971 0.70 CYP2B6 (0.54) CYP2B6CYP19A1TBXAS1

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 ALDH1A1 388/4885ADRB1 278/4885EGLN3 1069/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885ADRB1 278/4885EGLN3 1069/4885

“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.