SCHEMBL4284630

SCHEMBL4284630

CC(C)(C)c1cc(C(C)(C)C)n(CC[C@@H]2CN(C(=O)O)CCN2C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.35
CNR1 P21554 11/20 0.35
GRN P28799 4/20 0.35
SORT1 Q99523 4/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 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
SCHEMBL4283406 0.83 GRN (0.38) CNR2CNR1GRNSORT1KDM4E
Hydrochloric Acid SCHEMBL4281396 0.78 CA1 (0.35) CNR2CNR1GRNSORT1KDM4E
SCHEMBL13705111 0.77 PARP1 (0.53) GRNSORT1MEN1KMT2ANPC1
SCHEMBL4281250 0.77 KDM4E (0.46) KDM4EKMT2A
SCHEMBL4291155 0.71 SMN1; SMN2 (0.38) KDM4E
SCHEMBL4288567 0.71 FAAH (0.34) KMT2A
SCHEMBL4281879 0.70 KDM4E (0.36) KDM4EMEN1KMT2A
SCHEMBL4286066 0.69 RAB9A (0.35) KDM4E
SCHEMBL4281381 0.69 HTR1A (0.44) CNR2KMT2A
SCHEMBL4291731 0.68 SMN1; SMN2 (0.38) KDM4E

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 CNR2 3580/4885CNR1 3488/4885GRN 3093/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CNR2 3580/4885CNR1 3488/4885GRN 3093/4885

“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.