SCHEMBL14649976

SCHEMBL14649976

CC(C)(C)OC(=O)[C@@H]1C[C@H](c2ccccc2)C(c2ccccc2Cl)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 2/20 0.41
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
SLC6A3 Q01959 2/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.35
RORC P51449 1/20 0.35
PDE5A O76074 1/20 0.34
FABP7 O15540 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL19428590 1.00 FABP5 (0.41) FABP5KDM1AMAOBTRPM5SLC6A3
SCHEMBL21180013 0.81 PDE5A (0.36) FABP5ALOX15PDE5AL3MBTL1KDM4E
SCHEMBL12643732 0.80 KDM4E (0.33) ALOX15PDE5AMEN1KMT2AL3MBTL1
SCHEMBL14653133 0.80 KDM4E (0.33) ALOX15PDE5AMEN1KMT2AL3MBTL1
SCHEMBL2039074 0.73 ALDH1A1 (0.43) PDE5AMEN1KMT2AL3MBTL1KDM4E
SCHEMBL29788206 0.73 ALDH1A1 (0.43) PDE5AMEN1KMT2AL3MBTL1KDM4E
SCHEMBL2039076 0.73 ALDH1A1 (0.43) PDE5AMEN1KMT2AL3MBTL1KDM4E
SCHEMBL8668385 0.71 KMT2A (0.38) KDM1AMAOBRECQLKMT2AL3MBTL1
SCHEMBL8899635 0.70 RECQL (0.40) KDM1AMAOBRECQLALOX15HSD17B10
SCHEMBL27742382 0.70 KLK7 (0.41) RECQLMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770435-B2 Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases OGEDA SA (BE) 2017-09-26 US disclosed
US-9695120-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists OGEDA SA (BE) 2017-07-04 US disclosed
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2016-10-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 FABP5 157/4885KDM1A 4460/4885MAOB 3696/4885
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES PTGS1, PTGES, PTGER1 FABP5 1235/4885KDM1A 3651/4885MAOB 808/4885

“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.