SCHEMBL71443

SCHEMBL71443

CC(C)c1ccc2c(c1)OCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PTGS1 P23219 2/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 1/20 0.33
PIM1 P11309 1/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
KIF11 P52732 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL69977 0.85 MAPT (0.40) LMNAHPGDGFERHSD17B10SMN1; SMN2
SCHEMBL69296 0.82 ALDH1A1 (0.49) HPGDHSD17B10SMN1; SMN2GAAPTGS1
SCHEMBL18482873 0.80 GAA (0.39) HPGDGFERHSD17B10SMN1; SMN2GAA
SCHEMBL8469595 0.75 ALDH1A1 (0.47) HPGDHSD17B10GAAMAPTALDH1A1
SCHEMBL21213763 0.74 TAAR1 (0.41) MAPTMEN1KMT2A
SCHEMBL8001478 0.73 MMP12 (0.51) SMN1; SMN2MAPTTP53KIF11ALDH1A1
SCHEMBL19751549 0.73 BRD4 (0.36) LMNAHPGDGFERHSD17B10SMN1; SMN2
SCHEMBL14804032 0.73 KCNH2 (0.35) HPGDGFERHSD17B10SMN1; SMN2GAA
SCHEMBL13392166 0.73 HPGD (0.43) LMNAHPGDGFERHSD17B10SMN1; SMN2
SCHEMBL19751469 0.73 LTB4R (0.39) LMNAHPGDGFERHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369487-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2017-12-28 US disclosed
US-9695168-B2 Substituted imidazo[1,5-α]pyridines and imidazo[1,5-α]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US disclosed
US-9695168-B2 Substituted imidazo[1,5-α]pyridines and imidazo[1,5-α]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US disclosed
US-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20160009712-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2016-01-14 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
US-8889674-B2 Piperidine and pyrrolidine derivatives having NPY Y5 receptor antagonism SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
US-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 US disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (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-20170369487-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B LMNA 2237/4885HPGD 758/4885GFER 3426/4885
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R LMNA 3409/4885HPGD 2035/4885GFER 1585/4885
US-20160009712-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B LMNA 1887/4885HPGD 784/4885GFER 2303/4885
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R LMNA 4352/4885HPGD 1122/4885GFER 1644/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885HPGD 3049/4885GFER 3406/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885HPGD 3049/4885GFER 3406/4885
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R LMNA 4589/4885HPGD 3300/4885GFER 3432/4885

“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.