SCHEMBL6310348

SCHEMBL6310348

CC(N)(CO)CCc1ccc(/C=C/CCCc2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 6/20 0.37
DHFR P00374 1/20 0.36
NAMPT P43490 1/20 0.34
EGFR P00533 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LTB4R Q15722 2/20 0.31
S1PR1 P21453 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
POLB P06746 1/20 0.31
TBXAS1 P24557 1/20 0.31

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
SCHEMBL6310354 1.00 TNNC1 (0.37) TNNC1DHFRNAMPTEGFRGRIN1
Fumaric Acid SCHEMBL6303024 0.94 TBXAS1 (0.38) TNNC1DHFRNAMPTLTB4RTBXAS1
Maleic Acid SCHEMBL6303019 0.94 TBXAS1 (0.38) TNNC1DHFRNAMPTLTB4RTBXAS1
Maleic Acid SCHEMBL6303015 0.94 TBXAS1 (0.38) TNNC1DHFRNAMPTLTB4RTBXAS1
SCHEMBL6303022 0.83 AKR1B10 (0.38) NAMPTEGFR
SCHEMBL6303133 0.81 TNNC1 (0.40) TNNC1LTB4RS1PR1SGPL1S1PR4
SCHEMBL386098 0.80 TNNC1 (0.42) TNNC1LTB4RS1PR1SGPL1S1PR4
SCHEMBL6309871 0.80 TNNC1 (0.42) TNNC1LTB4RS1PR1SGPL1S1PR4
SCHEMBL6310677 0.79 TNNC1 (0.33) TNNC1S1PR3
SCHEMBL6310680 0.79 TNNC1 (0.33) TNNC1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TNNC1 4829/4885DHFR 2589/4885NAMPT 4631/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TNNC1 4829/4885DHFR 2589/4885NAMPT 4631/4885

“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.