SCHEMBL4285577

SCHEMBL4285577

Cc1cnn(CC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
PLAA Q9Y263 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
REN P00797 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PARP1 P09874 2/20 0.32

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
SCHEMBL4282115 0.88 CA1 (0.35) CA1CA2CA4CA9LMNA
Hydrochloric Acid SCHEMBL4284239 0.83 L3MBTL1 (0.38) CA1CA2CA4CA9KMT2A
SCHEMBL4285493 0.77 LMNA (0.36) LMNAHTTSMN1; SMN2GAAKMT2A
SCHEMBL16400348 0.76 ENPP2 (0.47) LMNAHTTSMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL4752027 0.76 CA1 (0.34) CA1CA2CA4CA9KMT2A
Hydrochloric Acid SCHEMBL4282906 0.76 CA1 (0.34) CA1CA2CA4CA9KMT2A
SCHEMBL4290450 0.75 POLB (0.40) CA1CA2CA4CA9KMT2A
SCHEMBL4297909 0.75 ALDH1A1 (0.47) CA1CA2CA4CA9LMNA
Hydrochloric Acid SCHEMBL4291831 0.74 POLB (0.41) CA1CA2CA4CA9KMT2A
Hydrochloric Acid SCHEMBL4288220 0.74 ALDH1A1 (0.46) CA1CA2CA4CA9LMNA

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 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.