SCHEMBL1661498

SCHEMBL1661498

CCOC(=O)C(C(=O)OCC)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.51
CACNB1 Q02641 2/20 0.51
CACNA1A O00555 1/20 0.51
TSHR P16473 2/20 0.46
SLC6A9 P48067 1/20 0.46
OPRD1 P41143 2/20 0.46
MMP8 P22894 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL16492840 0.86 CACNA2D1 (0.49) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL3292513 0.81 CACNA1A (0.58) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL16492842 0.80 CACNA1A (0.44) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL4677322 0.80 ALDH1A1 (0.47) CACNA2D1CACNB1SLC6A9OPRD1NPSR1
SCHEMBL3421906 0.79 MAPT (0.41) CACNA2D1CACNB1CACNA1ASLC6A9OPRD1
SCHEMBL21641193 0.79 CACNA2D1 (0.50) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL27717458 0.78 CACNA1A (0.49) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL2589044 0.77 CACNA2D1 (0.48) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
SCHEMBL13600016 0.76 CACNA2D1 (0.50) CACNA2D1CACNB1CACNA1ATSHRSLC6A9
Hydrochloric Acid SCHEMBL9775428 0.74 OPRD1 (0.54) CACNA2D1CACNB1CACNA1AOPRD1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 CN disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 CACNA2D1 1469/4885CACNB1 1086/4885CACNA1A 1623/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CACNA2D1 1461/4885CACNB1 1116/4885CACNA1A 1598/4885

“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.