SCHEMBL4274774

SCHEMBL4274774

CCCCCC(=O)CCCN1CCC(O)(CCCCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
CCR1 P32246 1/20 0.43
S1PR4 O95977 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36

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
SCHEMBL8048581 0.85 S1PR1 (0.54) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL7699254 0.82 L3MBTL1 (0.46) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL7699256 0.80 S1PR1 (0.45) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL11211964 0.77 OPRM1 (0.45) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL10373872 0.75 CCR1 (0.50) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL12897872 0.73 PAOX (0.54) MAPTKMT2A
SCHEMBL4782236 0.72 OPRM1 (0.49) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL19710571 0.70 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4OPRM1
SCHEMBL1575025 0.70 OPRD1 (0.43) S1PR1S1PR3S1PR5CCR1S1PR4
SCHEMBL4437885 0.70

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-20090156637-A1 BUTYROPHENONES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVE-STRESS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER OF FORT WORTH (US) 2009-06-18 US disclosed
US-20060106064-A1 Butyrophenones and sigma-1 receptor antagonists protect against oxidative-stress UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2006-05-18 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 (2 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-20090156637-A1 BUTYROPHENONES AND SIGMA-1 RECEPTOR ANTAGONISTS PROTECT AGAINST OXIDATIVE-STRESS SIGMAR1, OPRK1, OPRL1 S1PR1 773/4885S1PR3 902/4885S1PR5 1688/4885
US-20060106064-A1 Butyrophenones and sigma-1 receptor antagonists protect against oxidative-stress SIGMAR1, OPRK1, OPRL1 S1PR1 773/4885S1PR3 902/4885S1PR5 1688/4885

“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.