SCHEMBL31124457

SCHEMBL31124457

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.51
▸ LMNA P02545 3/20 0.51
▸ EIF2AK4 Q9P2K8 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL31124436 0.91 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL28919354 0.91 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL31124418 0.91 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL30497704 0.85 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL4495244 0.85 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL28614144 0.84 JAK3 (0.54) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL31124452 0.84 JAK3 (0.54) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL28605629 0.84 JAK3 (0.54) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL31124509 0.84 JAK3 (0.54) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL28605626 0.84 JAK3 (0.54) SMN1; SMN2LMNAKMT2AMAPTMEN1

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-12110287-B2 Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2024-10-08 — — 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-12110287-B2 Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A SMN1; SMN2 359/4885LMNA 803/4885EIF2AK4 3007/4885

“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.

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