SCHEMBL386946

SCHEMBL386946

C[C@](N)(CO)CCc1ccc(CCCCCc2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.41
S1PR1 P21453 2/20 0.41
SGPL1 O95470 1/20 0.41
S1PR4 O95977 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SPHK2 Q9NRA0 3/20 0.38
MAOA P21397 1/20 0.38
LTB4R Q15722 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOB P27338 1/20 0.37
SPHK1 Q9NYA1 1/20 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
SCHEMBL384110 1.00 TNNC1 (0.41) TNNC1S1PR1SGPL1S1PR4GPR183
Oxalic Acid SCHEMBL386782 0.95 MAPT (0.40) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL386253 0.84 FAAH (0.43)
SCHEMBL386783 0.82 LMNA (0.39) S1PR1S1PR4S1PR3S1PR5LTB4R
SCHEMBL385534 0.82 S1PR1 (0.50) S1PR1S1PR4S1PR3S1PR5SIGMAR1
Oxalic Acid SCHEMBL386502 0.82 FAAH (0.42)
SCHEMBL7716311 0.82 MAOA (0.47) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL386098 0.82 TNNC1 (0.42) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL6309871 0.82 TNNC1 (0.42) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL386628 0.81 GRM5 (0.38) TNNC1S1PR1SGPL1S1PR4GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
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
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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 TNNC1 4429/4885S1PR1 257/4885SGPL1 1461/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 TNNC1 2864/4885S1PR1 159/4885SGPL1 770/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB TNNC1 3432/4885S1PR1 465/4885SGPL1 3445/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 TNNC1 3188/4885S1PR1 70/4885SGPL1 1386/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A TNNC1 4559/4885S1PR1 593/4885SGPL1 3154/4885

“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.