SCHEMBL5013383

SCHEMBL5013383

COc1cc(C)ncc1CN

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 6/20 0.48
DPP4 P27487 3/20 0.44
TAAR1 Q96RJ0 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL30539494 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DPP4TAAR1
Hydrochloric Acid SCHEMBL5013663 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DPP4TAAR1
SCHEMBL4136184 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3TAAR1ALDH1A1
SCHEMBL5012150 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL5013477 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DPP4KDM4E
SCHEMBL12250839 0.78 P2RX3 (0.48) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL21385911 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL11839087 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL317221 0.75 UHRF1 (0.52) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL29707486 0.75 UHRF1 (0.52) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
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
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-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (5 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 SLC6A2 4737/4885SLC6A4 4609/4885SLC6A3 4555/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 SLC6A2 4737/4885SLC6A4 4609/4885SLC6A3 4555/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SLC6A2 3703/4885SLC6A4 2705/4885SLC6A3 1721/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 SLC6A2 4737/4885SLC6A4 4609/4885SLC6A3 4555/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 SLC6A2 4737/4885SLC6A4 4609/4885SLC6A3 4555/4885

“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.