SCHEMBL1241113

SCHEMBL1241113

O=C(Nc1ccccn1)c1ncccc1OC[C@H]1C[C@@H](OCOCc2ccccc2)CN1C(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.38
ITGB1 P05556 10/20 0.35
ITGA5 P08648 9/20 0.35
ITGB3 P05106 5/20 0.35
ITGAV P06756 5/20 0.35
ITGB5 P18084 4/20 0.33
ITGA2B P08514 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ITGA4 P13612 1/20 0.33
MET P08581 1/20 0.32
PTGER1 P34995 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
BTK Q06187 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
SCHEMBL1241112 1.00 SGMS2 (0.38) SGMS2ITGB1ITGA5ITGB3ITGAV
SCHEMBL1241106 0.91 DGAT2 (0.35) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL1241104 0.91 DGAT2 (0.35) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL1241225 0.90 IDH1 (0.34) LMNAIDH1
SCHEMBL1241221 0.90 IDH1 (0.34) LMNAIDH1
SCHEMBL1241518 0.89 LRRK2 (0.35) ITGB1ITGA4
SCHEMBL1241522 0.89 LRRK2 (0.35) ITGB1ITGA4
SCHEMBL1238501 0.86 ELANE (0.36) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL1238504 0.86 ELANE (0.36) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL1240374 0.85 SGMS2 (0.36) SGMS2GABRG2GABRB3GABRA5GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SGMS2 1412/4885ITGB1 4248/4885ITGA5 4076/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A SGMS2 1412/4885ITGB1 4248/4885ITGA5 4076/4885

“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.