SCHEMBL2324285

SCHEMBL2324285

O=C(OCc1ccccc1)N1CCC(c2nnn[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.56
JAK2 O60674 6/20 0.53
JAK1 P23458 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
PDE4B Q07343 1/20 0.49
TYK2 P29597 4/20 0.48
JAK3 P52333 4/20 0.48
GRIN2B Q13224 6/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL6194819 1.00 USP30 (0.56) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL4513756 0.94 JAK2 (0.54) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL1992659 0.93 SMN1; SMN2 (0.58) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL4521587 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL13246605 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL672317 0.80 TMEM97 (0.49) SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL29806194 0.79 USP30 (0.62) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL29080044 0.77 JAK2 (0.55) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL19405228 0.77 GRIN2B (0.60) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL29080164 0.76 JAK2 (0.52) USP30JAK2JAK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 EP disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 USP30 4739/4885JAK2 1339/4885JAK1 1082/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 USP30 4698/4885JAK2 1061/4885JAK1 1239/4885

“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.