SCHEMBL15923922

SCHEMBL15923922

CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
KDM4E B2RXH2 13/20 1.00
HPGD P15428 9/20 1.00
HTT P42858 8/20 1.00
NPSR1 Q6W5P4 4/20 1.00
ATM Q13315 3/20 1.00
MAPK1 P28482 3/20 1.00
HSD17B10 Q99714 3/20 1.00
TSHR P16473 3/20 1.00
LMNA P02545 5/20 0.95
GAA P10253 3/20 0.80
POLB P06746 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
IDH1 O75874 2/20 0.56
MAPT P10636 1/20 0.53
KHK P50053 1/20 0.51

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
SCHEMBL17344002 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL6255135 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL1320500 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL2614845 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL14251704 0.73 IDH1 (1.00) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL14250219 0.71 HTT (0.67) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL15877665 0.69 IDH1 (1.00) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL11753128 0.67 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL23570923 0.67 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL4821841 0.65 KDM4E (0.78) ALDH1A1KDM4EHPGDHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220313650-A1 METHODS FOR TREATING NEURODEVELOPMENTAL DISORDERS THE BROAD INSTITUTE, INC. (US) 2022-10-06 US disclosed
US-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS THE BROAD INSTITUTE, INC. (US) 2022-07-07 US disclosed
US-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS THE BROAD INSTITUTE, INC. (US) 2022-07-07 US disclosed
US-10059671-B2 Positive allosteric modulators of mGluR3 PREXTON THERAPEUTICS SA (CH) 2018-08-28 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
EP-2951157-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 Merck Patent GmbH (DE) 2015-12-09 EP disclosed
WO-2014117919-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
WO-2014117919-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2014-08-07 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 (4 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-20220313650-A1 METHODS FOR TREATING NEURODEVELOPMENTAL DISORDERS GRIN2A, GRIN2B, GRM2 ALDH1A1 1408/4885KDM4E 2165/4885HPGD 2482/4885
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 GRM3, GRM1, GRM4 ALDH1A1 4723/4885KDM4E 1126/4885HPGD 3834/4885
US-10059671-B2 Positive allosteric modulators of mGluR3 GRM3, GRM1, GRM4 ALDH1A1 4723/4885KDM4E 1126/4885HPGD 3834/4885
US-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS HCRTR2, GRIN2A, GRM2 ALDH1A1 1485/4885KDM4E 1435/4885HPGD 3028/4885

“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.