SCHEMBL6219475

SCHEMBL6219475

N[C@@H]1C[C@H]2C=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CCN2C1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.71
MAPK11 Q15759 1/20 0.71
GCGR P47871 3/20 0.37
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL5765108 0.89 MAPK14 (0.72) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL5765185 0.88 MAPK14 (0.71) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL5762518 0.88 MAPK14 (0.71) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL6219302 0.88 MAPK14 (0.71) MAPK14MAPK11GCGR
SCHEMBL5763186 0.88 MAPK14 (0.71) MAPK14MAPK11GCGR
SCHEMBL5765830 0.88 MAPK14 (0.71) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL5763875 0.88 MAPK14 (0.71) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL5765417 0.88 MAPK14 (0.71) MAPK14MAPK11GCGR
SCHEMBL5763011 0.86 MAPK14 (0.67) MAPK14MAPK11GCGRCYP2D6CYP3A4
SCHEMBL6218157 0.86 MAPK14 (0.67) MAPK14MAPK11GCGRCYP3A4

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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 MAPK14 340/4885MAPK11 556/4885GCGR 2036/4885

“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.