SCHEMBL86757

SCHEMBL86757

N#Cc1cc(CCC(N)(CO)CO)ccc1OCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
TNNC1 P63316 5/20 0.43
S1PR3 Q99500 2/20 0.43
SGPL1 O95470 1/20 0.43
S1PR4 O95977 1/20 0.43
GPR183 P32249 1/20 0.43
CERS2 Q96G23 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ADRB2 P07550 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38

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 SCHEMBL78807 0.99 S1PR1 (0.47) S1PR1FNTAFNTBPGGT1BTNNC1
SCHEMBL86768 0.97 S1PR1 (0.49) S1PR1FNTAFNTBPGGT1BTNNC1
Hydrochloric Acid SCHEMBL80671 0.96 S1PR1 (0.48) S1PR1FNTAFNTBPGGT1BTNNC1
SCHEMBL87043 0.89 S1PR1 (0.47) S1PR1FNTAFNTBPGGT1BTNNC1
Hydrochloric Acid SCHEMBL82543 0.88 S1PR1 (0.46) S1PR1FNTAFNTBPGGT1BTNNC1
SCHEMBL80929 0.87 S1PR1 (0.41) S1PR1FNTAFNTBPGGT1BS1PR3
SCHEMBL80928 0.86 S1PR1 (0.41) S1PR1FNTAFNTBPGGT1BS1PR3
SCHEMBL86686 0.85 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13851940 0.84 S1PR1 (0.67) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL2462472 0.84 S1PR1 (0.67) S1PR1TNNC1S1PR3SGPL1S1PR4

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
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-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 511/4885FNTA 3345/4885FNTB 4649/4885

“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.