SCHEMBL6310296

SCHEMBL6310296

CC(N)(CO)CCc1ccc(-c2ccc(OCC3CCCCC3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.42
PARP15 Q460N3 4/20 0.42
PARP2 Q9UGN5 1/20 0.38
HPGD P15428 3/20 0.37
FFAR1 O14842 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL6305066 0.91 NFE2L2 (0.46) HPGDGRM2
SCHEMBL386921 0.86 S1PR4 (0.46) PARP10PARP15PARP2HPGDFFAR1
SCHEMBL383776 0.85 S1PR1 (0.47) PARP10PARP15PARP2
SCHEMBL6305061 0.82 MEN1 (0.38) HPGDGRM2
SCHEMBL383700 0.78 S1PR4 (0.51) HPGDGRM2
SCHEMBL6306680 0.77 NR4A2 (0.52) PARP10FFAR1
SCHEMBL386572 0.77 S1PR1 (0.51) HPGDGRM2
SCHEMBL6305682 0.77 SPHK1 (0.34)
Oxalic Acid SCHEMBL388130 0.76 PARP10 (0.42) PARP10PARP15PARP2HPGDFFAR1
SCHEMBL385547 0.73 CEL (0.39)

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
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PARP10 1641/4885PARP15 3506/4885PARP2 3451/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PARP10 1641/4885PARP15 3506/4885PARP2 3451/4885

“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.