SCHEMBL20185097

SCHEMBL20185097

COC(=O)[C@H]1C[C@@H]1c1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 1/20 0.37
SLC6A2 P23975 3/20 0.37
FFAR1 O14842 3/20 0.36
TBXAS1 P24557 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL30504107 1.00 KDM4E (0.40) KDM4EALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL29057350 1.00 KDM4E (0.40) KDM4EALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL29057348 1.00 KDM4E (0.40) KDM4EALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL20438898 1.00 KDM4E (0.40) KDM4EALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL14149186 0.85 CA1 (0.38) KDM4EALDH1A1NPC1RAB9APDE10A
SCHEMBL14149183 0.85 CA1 (0.38) KDM4EALDH1A1NPC1RAB9APDE10A
SCHEMBL25642542 0.85 DGAT1 (0.39) KDM4EALDH1A1SMN1; SMN2SLC6A4SLC6A3
SCHEMBL29046612 0.85 DGAT1 (0.39) KDM4EALDH1A1SMN1; SMN2SLC6A4SLC6A3
SCHEMBL14060062 0.85 CA1 (0.38) KDM4EALDH1A1NPC1RAB9APDE10A
SCHEMBL29046613 0.85 DGAT1 (0.39) KDM4EALDH1A1SMN1; SMN2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573952-B1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-07-14 EP disclosed
EP-3544958-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-09 US disclosed
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-21 US disclosed
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-11-21 US disclosed
EP-3544958-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-02 EP disclosed
US-10125101-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-13 US disclosed
WO-2018138027-A1 BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-02 WO disclosed
WO-2018138029-A1 BENZYLOXYPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-08-02 WO disclosed
WO-2018095877-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 WO disclosed
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 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-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2450/4885ALDH1A1 1812/4885CYP3A4 1022/4885
US-10125101-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR55 KDM4E 3068/4885ALDH1A1 1450/4885CYP3A4 1154/4885
US-10919859-B2 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2493/4885ALDH1A1 1719/4885CYP3A4 1199/4885
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPR55 KDM4E 3068/4885ALDH1A1 1450/4885CYP3A4 1154/4885
US-20190352266-A1 Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 KDM4E 2493/4885ALDH1A1 1719/4885CYP3A4 1199/4885

“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.