SCHEMBL4295541

SCHEMBL4295541

CCc1nc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)c(C)c2o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SCN9A Q15858 5/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
REN P00797 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4285366 0.90 HSP90AA1 (0.38) HSP90AA1HSP90AB1SCN9ASCN10AREN
SCHEMBL13705344 0.88 CXCR4 (0.38) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4286181 0.83 MTNR1A (0.34) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL4281841 0.81 KMT2A (0.39) SCN9ASCN10AMEN1KMT2A
SCHEMBL4289860 0.79 GAA (0.41) SCN9ASCN10A
SCHEMBL8115913 0.78 CXCR4 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL4294380 0.78 S1PR4 (0.38) SCN9ASCN10ARENMEN1KMT2A
SCHEMBL4753485 0.75 MEN1 (0.38) SCN9ARENMEN1KMT2A
SCHEMBL4292768 0.75 MEN1 (0.38) SCN9ARENMEN1KMT2A
SCHEMBL4285108 0.73 SIGMAR1 (0.39) SCN9ASCN10A

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 HSP90AA1 2225/4885HSP90AB1 2073/4885SCN9A 1866/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HSP90AA1 2225/4885HSP90AB1 2073/4885SCN9A 1866/4885

“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.