SCHEMBL13645749

SCHEMBL13645749

CC(=O)NCCC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
POLB P06746 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.46
FKBP1A P62942 3/20 0.45
TAAR1 Q96RJ0 1/20 0.45
GAA P10253 2/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL2597875 0.84 POLB (0.51) GLAPOLBTSHRLMNAALDH1A1
SCHEMBL5110826 0.83 ATM (0.54) LMNAALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL13853557 0.83 GLA (0.51) GLAPOLBTSHRLMNAALDH1A1
SCHEMBL13135936 0.81 HTT (0.52) GLAPOLBTSHRLMNAALDH1A1
SCHEMBL7385455 0.81 GLA (0.57) GLAPOLBTSHRLMNAALDH1A1
SCHEMBL16252568 0.81 TSHR (0.50) GLAPOLBTSHRLMNAALDH1A1
SCHEMBL13368210 0.80 TDP1 (0.47) LMNAALDH1A1HTTSMN1; SMN2GAA
SCHEMBL8236139 0.79 NPSR1 (0.38) TSHRLMNAALDH1A1HTTL3MBTL1
SCHEMBL2384985 0.79 NPSR1 (0.38) TSHRLMNAALDH1A1HTTL3MBTL1
SCHEMBL14079952 0.79 TSHR (0.54) GLAPOLBTSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
WO-2013113669-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-08 WO disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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 (3 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 GLA 2171/4885POLB 4498/4885TSHR 3257/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 GLA 3284/4885POLB 418/4885TSHR 2798/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 GLA 2192/4885POLB 3033/4885TSHR 3065/4885

“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.