SCHEMBL4294465

SCHEMBL4294465

COC(=O)c1ccn(CC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
ADRB1 P08588 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
REN P00797 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 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
Hydrochloric Acid SCHEMBL4287068 0.99 CA1 (0.37) CA1CA2CA4CA9XIAP
SCHEMBL4294615 0.79 LMNA (0.33) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL4282105 0.77 POLB (0.48) CA1CA2CA4CA9LMNA
SCHEMBL4975002 0.74 MAPT (0.46) ADRB1KDM4EMAPTMEN1KMT2A
SCHEMBL4284770 0.74 ALDH1A1 (0.41) KDM4EMAPTKMT2AALDH1A1RAB9A
SCHEMBL4284056 0.74 HTR7 (0.48) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL4750110 0.74 HTR7 (0.48) LMNAMEN1KMT2AALDH1A1RAB9A
SCHEMBL4289809 0.73 MAPT (0.42) CA1CA2CA4CA9XIAP
SCHEMBL4287630 0.72 ALDH1A1 (0.44) CA1CA2CA4CA9XIAP
SCHEMBL4287310 0.72 TTR (0.37) CA1CA2CA4CA9XIAP

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-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.