SCHEMBL7542859

SCHEMBL7542859

CC(=O)C1CN(C(=O)OCc2ccccc2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GRIN2B Q13224 4/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4B Q07343 1/20 0.46
HTT P42858 1/20 0.46
HTR2C P28335 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PREP P48147 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 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
SCHEMBL4141608 0.90 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9524815 0.88 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29239224 0.88 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4293531 0.85 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28731650 0.85 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21193545 0.83 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13059800 0.82 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1119073 0.82 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28366638 0.82 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29080144 0.81 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
EP-2812001-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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 (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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MEN1 2650/4885KMT2A 84/4885NPSR1 4719/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MEN1 2650/4885KMT2A 84/4885NPSR1 4719/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MEN1 2650/4885KMT2A 84/4885NPSR1 4719/4885

“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.