Sugi Predict

Sugi Predict / Compounds / SCHEMBL2935834

SCHEMBL2935834

SCHEMBL2935834

CN(C)C(=O)CN1CCN(C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ DRD4 P21917 1/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ DRD2 P14416 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16254571 0.84 ALDH1A1 (0.64) ALDH1A1DRD4KDM4EMEN1KMT2A
SCHEMBL20457594 0.83 ALDH1A1 (0.58) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL4574972 0.83 ALDH1A1 (0.46) ALDH1A1DRD4KDM4EGAAMEN1
SCHEMBL21004046 0.82 ALDH1A1 (0.62) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL15043685 0.81 ALDH1A1 (0.59) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL12847187 0.81 ALDH1A1 (0.70) ALDH1A1DRD4GAAPOLBSMN1; SMN2
SCHEMBL12788640 0.79 ALDH1A1 (0.58) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL16252541 0.79 ALDH1A1 (0.58) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL6998053 0.79 ALDH1A1 (0.58) ALDH1A1DRD4NPC1LMNARAB9A
SCHEMBL12325467 0.79 ALDH1A1 (0.58) ALDH1A1DRD4NPC1LMNARAB9A

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-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US claimed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US claimed
EP-3790879-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-03-17 — — EP disclosed
WO-2019215316-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-11-14 — — WO disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 — — EP disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — 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 (1 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN ALDH1A1 4319/4885DRD4 4275/4885NPC1 4614/4885

“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.