SCHEMBL4294380

SCHEMBL4294380

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
REN P00797 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PARP1 P09874 2/20 0.34
SCN9A Q15858 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33

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 SCHEMBL4290963 0.81 KDM4E (0.43) RENMEN1KMT2A
SCHEMBL4292951 0.81 KDM4E (0.43) MEN1KMT2A
SCHEMBL4749687 0.81 MRGPRX4 (0.39) CA1CA2CA4CA9
SCHEMBL4285659 0.81 MRGPRX4 (0.39) CA1CA2CA4CA9
SCHEMBL4287420 0.80 S1PR4 (0.38) S1PR4HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4285366 0.80 HSP90AA1 (0.38) RENMEN1KMT2ASCN9ASCN10A
Hydrochloric Acid SCHEMBL4295442 0.80 KDM4E (0.47) MEN1KMT2A
Hydrochloric Acid SCHEMBL4286055 0.80 MRGPRX4 (0.39) CA1CA2CA4CA9
SCHEMBL4290889 0.80 KDM4E (0.43) RENCA1CA2CA4CA9
SCHEMBL4282373 0.79 L3MBTL1 (0.47) 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 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 S1PR4 2749/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT S1PR4 2749/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.