SCHEMBL3118701

SCHEMBL3118701

CCCCCCC[C@@H]1CC[C@@H](CCCC)N1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.65
S1PR4 O95977 2/20 0.65
S1PR1 P21453 2/20 0.65
S1PR3 Q99500 2/20 0.65
S1PR5 Q9H228 2/20 0.65
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GBA1 P04062 7/20 0.39

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
SCHEMBL8818989 1.00 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8818981 1.00 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3118704 1.00 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL21984539 0.98 S1PR2 (0.61) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5362759 0.95 S1PR2 (0.63) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL10974751 0.93 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL8820729 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL31570922 0.91 S1PR2 (0.65) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL9407912 0.88 S1PR2 (0.67) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823590 0.88 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3S1PR5

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
JP-9295937-A None JP disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
JP-H09295937-A SIGMA RECEPTOR BONDING INHIBITOR SUMITOMO PHARMACEUT CO LTD 1997-11-18 JP 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-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 S1PR2 181/4885S1PR4 286/4885S1PR1 117/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 S1PR2 169/4885S1PR4 251/4885S1PR1 115/4885

“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.