SCHEMBL566403

SCHEMBL566403

CCCCCCCCc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 3/20 0.41
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.41

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
SCHEMBL565064 0.93 ESR1 (0.58) FAAHESR1ESR2S1PR1MOGAT2
SCHEMBL1364723 0.82 ESR1 (0.52) ESR1ESR2
SCHEMBL1367276 0.82 ESR1 (0.52) ESR1ESR2
SCHEMBL5328689 0.79 ESR1 (0.55) ESR1ESR2
SCHEMBL2221902 0.79 ESR1 (0.55) ESR1ESR2
SCHEMBL3284914 0.79 ESR1 (0.51) ESR1ESR2
SCHEMBL566477 0.78 ESR1 (0.44) ESR1ESR2
Hydrochloric Acid SCHEMBL1792810 0.78 ESR1 (0.53) ESR1ESR2
SCHEMBL6414755 0.78 DRD2 (0.73) MOGAT2
SCHEMBL6342044 0.77 MLNR (0.64) ESR1ESR2MOGAT2

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 FAAH 710/4885ESR1 1004/4885ESR2 958/4885

“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.