SCHEMBL4285211

SCHEMBL4285211

CN(CC[C@@H]1CN(C(=O)O)CCN1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA9 Q16790 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NLRP3 Q96P20 1/20 0.38
ADRB1 P08588 2/20 0.37
REN P00797 2/20 0.37
DPP4 P27487 1/20 0.37
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
PARP1 P09874 2/20 0.34

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
SCHEMBL4295277 0.85 CA1 (0.36) CA1CA2CA4CA9ADRB1
SCHEMBL13705271 0.84 CXCR4 (0.46) CA1CA2CA4CA9MEN1
Hydrochloric Acid SCHEMBL4298000 0.84 CA1 (0.36) CA1CA2CA4CA9ADRB1
SCHEMBL4285304 0.76 KMT2A (0.44) CA1CA2CA4CA9MEN1
SCHEMBL4291047 0.76 TACR1 (0.43) MEN1KMT2ANLRP3OPRK1
SCHEMBL12079071 0.76 CA1 (0.43) CA1CA2CA4CA9MEN1
SCHEMBL28978003 0.75 ACHE (0.50) MEN1KMT2A
SCHEMBL4294740 0.74 MAN1B1 (0.43) CA1CA2CA4CA9ADRB1
SCHEMBL3493396 0.74 TEAD1 (0.46) CA1CA2CA4CA9MEN1
SCHEMBL4749948 0.74 CA1 (0.62) CA1CA2CA4CA9MEN1

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.