SCHEMBL6634044

SCHEMBL6634044

CCCCCC(O)(CCCCC)CCCNCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.61
FDPS P14324 2/20 0.54
S1PR2 O95136 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5711702 0.95 SIGMAR1 (0.59) SIGMAR1FDPSS1PR2S1PR4S1PR1
SCHEMBL9038092 0.84 SIGMAR1 (0.85) SIGMAR1
SCHEMBL5711740 0.83 CHRM2 (0.47) S1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL1677848 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL11096300 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL3122074 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL3119923 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL9819833 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL3115603 0.82 SIGMAR1 (0.82) SIGMAR1
SCHEMBL3109628 0.82 SIGMAR1 (0.79) SIGMAR1DRD2DRD4DRD3KCNH2

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-20040143009-A1 Amines, uses thereof L'OREAL (FR) 2004-07-22 US disclosed
EP-1420008-A1 Composition, in particular cosmetic, comprising a secondary or tertiary amine L'OREAL (FR) 2004-05-19 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-20040143009-A1 Amines, uses thereof COL14A1, FBL, CUTA SIGMAR1 2275/4885FDPS 3910/4885S1PR2 2570/4885

“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.