SCHEMBL2670397

SCHEMBL2670397

C=C1C[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OCc3ccccc3)C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.39
AGTR2 P50052 1/20 0.39
HTR2C P28335 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL4671202 0.81 SMN1; SMN2 (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2670460 0.80 RORC (0.42) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL15082045 0.79 RORC (0.51) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3979105 0.79 RORC (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3977466 0.79 RORC (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3983517 0.79 RORC (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2670295 0.79 RORC (0.43) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2670158 0.79 RORC (0.43) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2670402 0.78 RORC (0.42) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2670187 0.78 RORC (0.42) RORCSMN1; SMN2NPC1RAB9ACYP2C19

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 9 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-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
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 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
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 RORC 519/4885SMN1; SMN2 3878/4885NPC1 4439/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 RORC 519/4885SMN1; SMN2 3878/4885NPC1 4439/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 RORC 519/4885SMN1; SMN2 3878/4885NPC1 4439/4885

“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.