SCHEMBL86382

SCHEMBL86382

Cc1c(Cl)cccc1CCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.64
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 2/20 0.35
TNNC1 P63316 5/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
SGPL1 O95470 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
MCHR1 Q99705 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
Hydrochloric Acid SCHEMBL79081 0.99 S1PR1 (0.63) S1PR1FFAR4FFAR1TNNC1S1PR3
SCHEMBL80748 0.91 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL80749 0.91 S1PR1 (0.53) S1PR1FFAR4FFAR1S1PR3S1PR4
SCHEMBL86853 0.90 S1PR1 (0.66) S1PR1FFAR4FFAR1TNNC1S1PR3
SCHEMBL86327 0.90 S1PR1 (0.63) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86498 0.90 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL81137 0.89 S1PR1 (0.62) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL80904 0.89 S1PR1 (0.65) S1PR1FFAR4FFAR1TNNC1S1PR3
SCHEMBL86205 0.89 S1PR1 (0.62) S1PR1FFAR4TNNC1S1PR3S1PR4
Hydrochloric Acid SCHEMBL80027 0.89 S1PR1 (0.61) S1PR1FFAR4TNNC1S1PR3S1PR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885FFAR4 1753/4885FFAR1 1919/4885

“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.