SCHEMBL4284889

SCHEMBL4284889

O=C(O)N1CCN[C@H](CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.40
SCN10A Q9Y5Y9 3/20 0.38
RBP4 P02753 1/20 0.37
TACR1 P25103 2/20 0.36
SOD1 P00441 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4291606 0.94 SCN9A (0.38) SCN9ASCN10ARBP4TACR1
SCHEMBL4750064 0.85 CA1 (0.36) SCN9ASOD1
SCHEMBL4291240 0.85 CA1 (0.36) SCN9ASOD1
SCHEMBL13705345 0.84 CXCR4 (0.41) SCN9ATACR1KDM4EALDH1A1LMNA
SCHEMBL3493396 0.81 TEAD1 (0.46) KDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL4293711 0.80 PARP1 (0.45) KDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL4293709 0.80 PARP1 (0.45) KDM4EALDH1A1GAAKMT2A
SCHEMBL4290773 0.80 KMT2A (0.46) KDM4EALDH1A1HTTKMT2A
SCHEMBL13705346 0.79 CXCR4 (0.40) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4281389 0.78 RBP4 (0.38) RBP4TACR1KDM4EALDH1A1LMNA

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 SCN9A 1866/4885SCN10A 2828/4885RBP4 2468/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885SCN10A 2828/4885RBP4 2468/4885

“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.