SCHEMBL4956602

SCHEMBL4956602

CC(C)(C)OC(=O)N1CCCC1c1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGDS O60760 3/20 0.47
UCHL1 P09936 3/20 0.45
USP30 Q70CQ3 3/20 0.45
AADAT Q8N5Z0 1/20 0.44
RIPK1 Q13546 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
PRCP P42785 1/20 0.42

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
SCHEMBL4956596 1.00 TSHR (0.47) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL16054078 0.94 HPGDS (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL16054075 0.94 HPGDS (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL9611574 0.93 ALDH1A1 (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL13298115 0.93 ALDH1A1 (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL3297270 0.89 ALDH1A1 (0.43) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL12098766 0.89 KMT2A (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL12098764 0.89 KMT2A (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL889106 0.89 ALDH1A1 (0.43) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL20401775 0.88 ALDH1A1 (0.41) TSHRALDH1A1LMNAMEN1KMT2A

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 5 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 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 TSHR 808/4885ALDH1A1 435/4885LMNA 3035/4885
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP TSHR 4703/4885ALDH1A1 4180/4885LMNA 4013/4885

“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.