SCHEMBL2670261

SCHEMBL2670261

COC(=O)C12CCC[C@H]1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.45
PDE4B Q07343 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PREP P48147 1/20 0.41
RORC P51449 2/20 0.41
GRIN2B Q13224 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTR2C P28335 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL2670255 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14405539 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2670258 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2670188 0.97 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2670190 0.97 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4747980 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2670276 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2670273 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4671023 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4671202 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
EP-2540715-A1 Fused substituted aminopyrrolidine derivative Daiichi Sankyo Company, Limited (JP) 2013-01-02 EP disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SMN1; SMN2 3878/4885NPC1 4439/4885RAB9A 645/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 SMN1; SMN2 3878/4885NPC1 4439/4885RAB9A 645/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SMN1; SMN2 3878/4885NPC1 4439/4885RAB9A 645/4885

“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.