SCHEMBL86375

SCHEMBL86375

N#Cc1cccc(CCCOc2ccc(CCC(N)(CO)CO)cc2C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.63
MRGPRX4 Q96LA9 3/20 0.45
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
TNNC1 P63316 5/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GAA P10253 1/20 0.35
SCN9A Q15858 1/20 0.35

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 SCHEMBL82014 0.99 S1PR1 (0.62) S1PR1MRGPRX4CTSSCTSKNR3C1
SCHEMBL86528 0.91 S1PR1 (0.67) S1PR1MRGPRX4CTSSCTSKTNNC1
Hydrochloric Acid SCHEMBL79603 0.90 S1PR1 (0.66) S1PR1MRGPRX4CTSSCTSKTNNC1
SCHEMBL86361 0.86 S1PR1 (0.72) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL80408 0.85 S1PR1 (0.68) S1PR1NR3C2TNNC1SGPL1S1PR4
SCHEMBL86342 0.85 S1PR1 (0.68) S1PR1MRGPRX4CTSSCTSKTNNC1
Hydrochloric Acid SCHEMBL81203 0.85 S1PR1 (0.71) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL86513 0.85 S1PR1 (0.67) S1PR1CTSSCTSKTNNC1SGPL1
SCHEMBL79312 0.85 S1PR1 (0.70) S1PR1TNNC1SGPL1S1PR4GPR183
SCHEMBL86122 0.85 S1PR1 (0.67) S1PR1MRGPRX4TNNC1SGPL1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885MRGPRX4 92/4885CTSS 4376/4885

“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.