SCHEMBL1663601

SCHEMBL1663601

Cc1ccc(S(=O)(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
OPRD1 P41143 3/20 0.43
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
SLC6A9 P48067 1/20 0.43
MAOA P21397 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
MMP2 P08253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
ELOVL6 Q9H5J4 1/20 0.41
PKM P14618 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPY2R P49146 1/20 0.39
CHRM2 P08172 1/20 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
SCHEMBL6874924 0.85 GRIN1 (0.49) ALDH1A1OPRD1SLC6A9MAOAMMP2
SCHEMBL11457117 0.79 MAPT (0.41) OPRD1OPRM1OPRK1OPRL1SLC6A9
SCHEMBL3297472 0.79 CYP3A4 (0.47) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL5745148 0.79 CYP2D6 (0.50) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL4673445 0.79 CYP2D6 (0.47) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL2031016 0.78 CYP2D6 (0.49) ALDH1A1OPRD1OPRM1OPRL1SLC6A9
SCHEMBL5744694 0.75 CYP2D6 (0.47) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL5744690 0.75 CYP2D6 (0.46) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL3295083 0.74 SLC6A9 (0.44) ALDH1A1OPRD1OPRM1OPRK1OPRL1
SCHEMBL20133104 0.73 OPRM1 (0.54) OPRD1OPRM1OPRK1OPRL1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1703/4885OPRD1 878/4885OPRM1 1174/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 ALDH1A1 1637/4885OPRD1 856/4885OPRM1 1099/4885

“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.