SCHEMBL8252741

SCHEMBL8252741

CC(C)Cc1ccc(OCCN(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.66
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
LTA4H P09960 3/20 0.60
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.46
ESRRB O95718 1/20 0.46

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
SCHEMBL10148136 0.91 HRH3 (0.67) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL25443770 0.85 TDP1 (0.48) LTA4H
SCHEMBL8252571 0.83 CYP1A2 (0.62) HRH3LTA4HKDM4E
SCHEMBL10897314 0.83 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL15307617 0.83 SLC2A1 (0.49) HRH3
SCHEMBL8251192 0.81 LTA4H (0.51) HRH3KEAP1NFE2L2LTA4HKCNH2
SCHEMBL14160620 0.81 PPARG (0.58) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL15267191 0.80 CHRNB2 (0.58) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL14668123 0.80 HRH3 (0.68) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL8245062 0.80 TSHR (0.69) LTA4HKCNH2

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
WO-2022119756-A9 COMPOSITIONS AND METHODS FOR INHIBITING M PRO PROTEASE ACTIVITY AND FOR PREVENTING AND TREATING SARS-COV-2 INFECTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-04-27 WO disclosed
US-8541455-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof as HIF activators SANOFI (FR) 2013-09-24 US disclosed
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-12-01 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HRH3 1065/4885KEAP1 2951/4885NFE2L2 1532/4885
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS HIF1AN, HIF1A, EGLN2 HRH3 1331/4885KEAP1 146/4885NFE2L2 5/4885

“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.