SCHEMBL6367491

SCHEMBL6367491

N#CCCCN1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
KCNA3 P22001 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL6367251 0.84 SIGMAR1 (0.61) SIGMAR1KCNA3PPARGPPARA
SCHEMBL5535410 0.84 SIGMAR1 (0.46) SIGMAR1KCNA3PPARGPPARAS1PR1
SCHEMBL6373460 0.84 PARP1 (0.50) SIGMAR1KCNA3PPARGPPARADRD2
SCHEMBL5544450 0.83 SIGMAR1 (0.48) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5542216 0.82 PPARG (0.47) SIGMAR1KCNA3PPARGPPARAS1PR1
SCHEMBL6372796 0.82 SIGMAR1 (0.58) SIGMAR1KCNA3DRD2
SCHEMBL5544488 0.82 SIGMAR1 (0.47) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5535869 0.81 PPARG (0.48) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL14438052 0.81 PPARG (0.51) SIGMAR1PPARGPPARA
SCHEMBL6434881 0.81 SIGMAR1 (0.57) SIGMAR1KCNA3

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-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 SIGMAR1 3797/4885KCNA3 3374/4885PPARG 3444/4885

“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.