SCHEMBL1377512

SCHEMBL1377512

CCOC(=O)CN1CC[CH]CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 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
SCHEMBL31734204 0.89 GSK3A (0.46) GSK3AGSK3BMGAMGAASI
SCHEMBL11852921 0.86
SCHEMBL8912811 0.86 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL3966571 0.86 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL2373233 0.86 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL65358 0.82 ALDH1A1 (0.46) GSK3AGSK3BMGAMGAASI
SCHEMBL11116362 0.82 LMNA (0.46) GSK3AGSK3BMGAMGAASI
SCHEMBL1377164 0.81 LMNA (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8260387 0.80 MEN1 (0.47) GSK3AGSK3BMGAMGAASI
SCHEMBL4080149 0.80 GAA (0.47) GSK3AGSK3BMGAMGAASI

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2019-05-02 US claimed
EP-2812001-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-06-14 EP claimed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US claimed
US-20150376190-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-31 US claimed
US-20150368229-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-12-24 US claimed
EP-2953941-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2015-12-16 EP claimed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 US claimed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US claimed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US claimed
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP claimed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US claimed
WO-2005103037-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO claimed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US claimed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO claimed
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA GSK3A 4357/4885GSK3B 4467/4885MGAM 4877/4885
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GSK3A 2220/4885GSK3B 2117/4885MGAM 2811/4885
US-20150376190-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF EHMT2, EHMT1, DOT1L GSK3A 2769/4885GSK3B 2615/4885MGAM 392/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GSK3A 1603/4885GSK3B 1567/4885MGAM 4229/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 GSK3A 2913/4885GSK3B 2928/4885MGAM 146/4885
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 GSK3A 2913/4885GSK3B 2928/4885MGAM 146/4885
US-20150368229-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 GSK3A 2913/4885GSK3B 2928/4885MGAM 146/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 GSK3A 2913/4885GSK3B 2928/4885MGAM 146/4885

“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.