SCHEMBL4955786

SCHEMBL4955786

CC(C)(C)OC(=O)N1CCCC1c1nnc(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TSHR P16473 7/20 0.60
LMNA P02545 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HCRTR1 O43613 2/20 0.56
HCRTR2 O43614 2/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TP53 P04637 2/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.49

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
SCHEMBL4955775 1.00 ALDH1A1 (0.60) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL19385290 0.93 USP30 (0.59) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL889018 0.89 ALDH1A1 (0.57) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL3296275 0.89 ALDH1A1 (0.57) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL30867244 0.89 TSHR (0.60) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL12098306 0.89 KMT2A (0.61) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL12098303 0.89 KMT2A (0.61) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL13298120 0.89 ALDH1A1 (0.57) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL21065179 0.89 MAPT (0.66) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL21065177 0.89 MAPT (0.66) ALDH1A1TSHRLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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 (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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 ALDH1A1 435/4885TSHR 808/4885LMNA 3035/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR ALDH1A1 1086/4885TSHR 181/4885LMNA 3489/4885

“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.