SCHEMBL2039147

SCHEMBL2039147

COc1[c]cc(C#N)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
CYP11B2 P19099 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
CYP11B1 P15538 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
KDM1A O60341 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9900011 0.84 AR (0.35) ARHPGDSALDH1A1KDM4EUSP2
SCHEMBL9901206 0.82 MPO (0.40) ARHPGDSALDH1A1KDM4EMEN1
SCHEMBL161694 0.71 ACHE (0.44) ALDH1A1USP2MEN1HPGDKMT2A
SCHEMBL743497 0.71 CA12 (0.43) ALDH1A1USP2MEN1HPGDKMT2A
SCHEMBL28367355 0.69 MAPT (0.39) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL28179999 0.69 ERN1 (0.35) ALDH1A1KDM4E
SCHEMBL27949662 0.69 CYP3A4 (0.46) USP2
SCHEMBL6644614 0.69 AR (0.49) ARHPGDSALDH1A1KDM4EUSP2
SCHEMBL31432665 0.69 AR (0.44) ARHPGDSALDH1A1KDM4EUSP2
SCHEMBL509507 0.69 ACHE (0.52) ARALDH1A1KDM4EHPGDCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
WO-2015078949-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN SA (BE) 2015-06-04 WO disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
EP-2513053-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) Euroscreen S.A. (BE) 2012-10-24 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 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 (7 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 AR 704/4885HPGDS 769/4885ALDH1A1 1244/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 AR 704/4885HPGDS 769/4885ALDH1A1 1244/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 AR 695/4885HPGDS 1000/4885ALDH1A1 1118/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 AR 704/4885HPGDS 769/4885ALDH1A1 1244/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 AR 2274/4885HPGDS 1934/4885ALDH1A1 502/4885
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 AR 695/4885HPGDS 1000/4885ALDH1A1 1118/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 AR 794/4885HPGDS 646/4885ALDH1A1 1518/4885

“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.