SCHEMBL4287933

SCHEMBL4287933

CN(C)Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
LSS P48449 2/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
BCHE P06276 5/20 0.38
ACHE P22303 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
S1PR5 Q9H228 3/20 0.36
OPRK1 P41145 1/20 0.36
S1PR1 P21453 1/20 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
SCHEMBL4281983 0.85 L3MBTL1 (0.48) HRH3TEAD1TEAD3MEN1KMT2A
SCHEMBL4286026 0.85 HPGD (0.49) KMT2A
SCHEMBL4292379 0.83 KDM1A (0.43) OPRK1
SCHEMBL4281735 0.83 HCRTR1 (0.38) HRH3S1PR5OPRK1S1PR1
SCHEMBL3494366 0.83 TEAD1 (0.50) TEAD1TEAD3MEN1KMT2A
SCHEMBL4294542 0.83 KDM4E (0.49) HRH3
SCHEMBL4281940 0.82 KCNA5 (0.46) HRH3MEN1KMT2A
SCHEMBL4286428 0.82 HCRTR1 (0.47)
SCHEMBL4287459 0.82 KMT2A (0.49) HRH3MEN1KMT2A
SCHEMBL4295216 0.82 KMT2A (0.49) HRH3TEAD1TEAD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HRH3 1248/4885LSS 656/4885TEAD1 2143/4885

“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.