SCHEMBL5657392

SCHEMBL5657392

Cn1c(C#CCCc2ccccc2)ccc1CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCCc2ccccc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.40
S1PR3 Q99500 7/20 0.40
S1PR5 Q9H228 6/20 0.40
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
S1PR4 O95977 6/20 0.31
GRM5 P41594 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AGTR2 P50052 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL386934 0.94 S1PR1 (0.43) S1PR1S1PR3S1PR5LMNAALDH1A1
SCHEMBL5657253 0.82 S1PR1 (0.47) S1PR1S1PR3S1PR5LMNAMAPT
SCHEMBL383331 0.81 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4
SCHEMBL5658171 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR5LMNAMAPT
Oxalic Acid SCHEMBL386933 0.80 S1PR1 (0.38) S1PR1S1PR3S1PR5LMNAALDH1A1
SCHEMBL387022 0.79 GRM5 (0.37) S1PR1S1PR3S1PR5GRM5
SCHEMBL386909 0.77 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4GRM5
SCHEMBL387857 0.76 FFAR1 (0.36) FFAR1FFAR4LMNAMAPTALDH1A1
SCHEMBL3195967 0.76 S1PR1 (0.42) S1PR1S1PR3S1PR5LMNA
SCHEMBL384555 0.74 CXCR2 (0.38) S1PR1S1PR3S1PR5ALDH1A1CYP3A4

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-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT S1PR1 257/4885S1PR3 414/4885S1PR5 503/4885

“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.