SCHEMBL2103090

SCHEMBL2103090

CC(C)(C)OC(=O)N1CCC(c2c(F)cccc2C=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
GPR119 Q8TDV5 7/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STS P08842 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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
SCHEMBL28812695 0.89 GPR119 (0.54) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL3467159 0.85 GPR119 (0.51) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL2100512 0.83 GPR119 (0.44) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL2100515 0.83 GPR119 (0.44) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL17223024 0.82 RBP4 (0.50) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL19405061 0.82 GPR119 (0.52) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL24019260 0.81 MAPT (0.45) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL18739558 0.81 MAPT (0.54) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL17080918 0.81 GPR119 (0.49) THRBTP53GPR119MAPTSMN1; SMN2
SCHEMBL2103228 0.81 ERN1 (0.41) KMT2A

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
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 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 (1 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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR THRB 561/4885TP53 4762/4885GPR119 142/4885

“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.