SCHEMBL2323942

SCHEMBL2323942

N#CC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2B Q13224 9/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
ENPP2 Q13822 1/20 0.48
PDE4B Q07343 1/20 0.47

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
SCHEMBL1841015 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1290635 0.93 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1437263 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14539329 0.89 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25275303 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30917595 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31449857 0.87 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6062459 0.85 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21497616 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31460273 0.83 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
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-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
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
EP-0761668-B1 Non-classical antifolates UNIV PRINCETON (US) 2002-01-30 EP disclosed
US-5786358-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-07-28 US disclosed
EP-0761668-A2 Non-classical antifolates THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-03-12 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 SMN1; SMN2 1254/4885NPC1 372/4885RAB9A 3084/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SMN1; SMN2 1550/4885NPC1 271/4885RAB9A 2932/4885

“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.