SCHEMBL8062901

SCHEMBL8062901

O=C(NC1CC(O)c2ccccc21)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PGR P06401 7/20 0.38
HTT P42858 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PARP1 P09874 2/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL29410344 1.00 GAA (0.40) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL18531736 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL15007192 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL19215849 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL15007184 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL1265760 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL14856082 0.87 MTNR1A (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL25259047 0.85 TLR9 (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL16645216 0.85 TLR9 (0.41) GAALMNAMTNR1AMTNR1BTLR9
SCHEMBL25587333 0.83 CCR2 (0.39) LMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497359-B2 Acrylamide derivatives NRG THERAPEUTICS LTD (GB) 2025-12-16 US disclosed
EP-4208448-B1 ACRYLAMIDE DERIVATIVES NRG THERAPEUTICS LTD (GB) 2025-04-23 EP disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
EP-4208448-A1 NOVEL COMPOUNDS NRG Therapeutics LTD (GB) 2023-07-12 EP disclosed
CN-116096712-A Novel compounds NRG治疗有限公司 2023-05-09 CN disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 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 (4 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 GAA 418/4885LMNA 489/4885MTNR1A 3729/4885
US-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 GAA 1249/4885LMNA 3307/4885MTNR1A 1529/4885
US-12497359-B2 Acrylamide derivatives ACR, GSTA2, GSTA1 GAA 3295/4885LMNA 1162/4885MTNR1A 3685/4885
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 GAA 463/4885LMNA 293/4885MTNR1A 4439/4885

“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.