SCHEMBL5225531

SCHEMBL5225531

CC(C)NCc1cc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ADRA2C P18825 1/20 0.32
HRH1 P35367 1/20 0.32
PRKD1 Q15139 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR1B P28222 1/20 0.30
HIF1A Q16665 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL19764531 0.81 HRH4 (0.36) ALDH1A1HTR1B
SCHEMBL1764060 0.77
SCHEMBL291612 0.74
SCHEMBL29317119 0.72 NOS3 (0.40) HIF1A
SCHEMBL21743144 0.72 KDM4E (0.33) ALDH1A1KDM4EHSD17B10HIF1A
SCHEMBL12304218 0.72 HPGD (0.50) ALDH1A1KDM4EHSD17B10
SCHEMBL28929855 0.69
SCHEMBL1763335 0.69
SCHEMBL29199445 0.69 VHL (0.45) ALDH1A1
SCHEMBL13732067 0.69 NPSR1 (0.55) ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20220087991-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO disclosed
EP-1444201-B1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2007-09-12 EP disclosed
US-7179835-B2 2-(3-sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2007-02-20 US disclosed
US-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-01-06 US disclosed
EP-1444201-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-11 EP disclosed
WO-2003043981-A1 2-(3-SULFONYLAMINO-2-OXOPYRROLIDIN-1-YL)PROPANAMIDES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-30 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 (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-20220087991-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD PARP1 244/4885BCHE 4880/4885ACHE 4883/4885
US-20050004119-A1 2-(3-Sulfonylamino-2-oxopyrrolidin-1-yl)propanamides as factor xa inhibitors SERPINC1, F11, SERPINE1 PARP1 898/4885BCHE 1178/4885ACHE 469/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 PARP1 1909/4885BCHE 1394/4885ACHE 2522/4885

“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.