SCHEMBL4288512

SCHEMBL4288512

O=C(O)N1CCN[C@H](COc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.52
ADRB1 P08588 1/20 0.48
PARP1 P09874 1/20 0.47
REN P00797 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL4979175 1.00 LTA4H (0.52) LTA4HADRB1PARP1RENMEN1
SCHEMBL28045093 1.00 LTA4H (0.52) LTA4HADRB1PARP1RENMEN1
SCHEMBL3491740 0.88 LTA4H (0.46) LTA4HADRB1MEN1KMT2A
SCHEMBL3493396 0.86 TEAD1 (0.46) PARP1RENMEN1KMT2AL3MBTL1
SCHEMBL4290785 0.85 PARP1 (0.45) PARP1RENMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4293711 0.85 PARP1 (0.45) PARP1RENMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4293709 0.85 PARP1 (0.45) PARP1RENMEN1KMT2AL3MBTL1
SCHEMBL3493424 0.85 LTA4H (0.52) LTA4HADRB1
SCHEMBL4975002 0.84 MAPT (0.46) LTA4HADRB1MEN1KMT2A
SCHEMBL15645152 0.84 LTA4H (0.46) LTA4HADRB1PARP1

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 LTA4H 1197/4885ADRB1 278/4885PARP1 3523/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885ADRB1 278/4885PARP1 3523/4885

“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.