SCHEMBL1207201

SCHEMBL1207201

CC(C)(C)OC(=O)N1C2CCC1CC(N1CCN(C(=O)OCc3ccccc3)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
HTR1A P08908 2/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRA2C P18825 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
STS P08842 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
SCHEMBL119649 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL310136 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4659710 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL24535002 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30853295 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL24534722 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26702830 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26924552 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26924557 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21458909 0.84 SMN1; SMN2 (0.52) 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-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885NPC1 1278/4885RAB9A 2103/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885NPC1 1278/4885RAB9A 2103/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA SMN1; SMN2 4312/4885NPC1 1278/4885RAB9A 2103/4885

“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.