SCHEMBL1006734

SCHEMBL1006734

Cc1cc(C)cc(C(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
ABCB1 P08183 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL18175988 0.89 ALDH1A1 (0.48) TPMTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL13307464 0.87 TPMT (0.41) TPMTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL13307478 0.87 TPMT (0.64) TPMTHPGDALDH1A1SMN1; SMN2HCAR1
SCHEMBL9926497 0.85 ALDH1A1 (0.41) TPMTHPGDALDH1A1SMN1; SMN2HCAR1
SCHEMBL12846684 0.85 CES2 (0.41) TPMTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL14648740 0.85 TPMT (0.40) TPMTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL12221612 0.84 SMN1; SMN2 (0.52) HPGDALDH1A1SMN1; SMN2
SCHEMBL14577653 0.82 SLC7A5 (0.49) HPGDALDH1A1SMN1; SMN2
SCHEMBL12852655 0.82 TPMT (0.38) TPMTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL19651823 0.82 TPMT (0.38) TPMTHPGDALDH1A1SMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 US disclosed
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-21 US disclosed
US-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 US disclosed
US-10253004-B2 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-09 US disclosed
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-26 US disclosed
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 US disclosed
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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 (12 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B TPMT 2092/4885HPGD 3260/4885ALDH1A1 1816/4885
US-20190241521-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 2899/4885HPGD 1371/4885ALDH1A1 1647/4885
US-10253004-B2 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 TPMT 2985/4885HPGD 1274/4885ALDH1A1 1645/4885
US-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 TPMT 4573/4885HPGD 959/4885ALDH1A1 1501/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 TPMT 4573/4885HPGD 959/4885ALDH1A1 1501/4885
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 2988/4885HPGD 1402/4885ALDH1A1 1719/4885
US-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 3097/4885HPGD 1635/4885ALDH1A1 1870/4885
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 TPMT 2985/4885HPGD 1274/4885ALDH1A1 1645/4885
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPR55 TPMT 3021/4885HPGD 1186/4885ALDH1A1 1450/4885
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 TPMT 2616/4885HPGD 1305/4885ALDH1A1 1240/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TPMT 2092/4885HPGD 3260/4885ALDH1A1 1816/4885
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 TPMT 2988/4885HPGD 1402/4885ALDH1A1 1719/4885

“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.