SCHEMBL6367451

SCHEMBL6367451

N=C(N)CCCN1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
SIGMAR1 Q99720 11/20 0.43
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 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
SCHEMBL6437335 0.85 SIGMAR1 (0.58) DRD2PPARGPPARAS1PR1S1PR3
SCHEMBL6374865 0.85 PARP1 (0.48) DRD2PPARGPPARASIGMAR1
SCHEMBL6367176 0.83 DRD2 (0.61) DRD2SIGMAR1CYP2D6THPO
SCHEMBL5535410 0.82 SIGMAR1 (0.46) DRD2PPARGPPARAS1PR1S1PR3
SCHEMBL6373489 0.82 SIGMAR1 (0.55) DRD2SIGMAR1
SCHEMBL5535869 0.82 PPARG (0.48) PPARGPPARAS1PR1S1PR3SIGMAR1
SCHEMBL5544450 0.81 SIGMAR1 (0.48) DRD2PPARGPPARAS1PR1S1PR3
SCHEMBL6373296 0.81 DRD2 (0.61) DRD2SIGMAR1
SCHEMBL6368144 0.81 SIGMAR1 (0.55) DRD2S1PR1S1PR3SIGMAR1
SCHEMBL6374778 0.80 SIGMAR1 (0.58) DRD2SIGMAR1

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 DRD2 1026/4885PPARG 3444/4885PPARA 2882/4885

“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.