SCHEMBL1484864

SCHEMBL1484864

COc1ncccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
LIPE Q05469 4/20 0.37
ALPL P05186 1/20 0.37
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
EGFR P00533 2/20 0.35
BTK Q06187 1/20 0.35
IDH1 O75874 1/20 0.35
ROCK2 O75116 1/20 0.34
UCHL1 P09936 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL30292561 1.00 APLNR (0.38) APLNRLIPEALPLLPLLIPG
Water SCHEMBL2513501 0.98 APLNR (0.37) APLNRLIPEALPLLPLLIPG
SCHEMBL29534576 0.89 LIPE (0.35) LIPEALPLLPLLIPGEGFR
SCHEMBL29900384 0.84 L3MBTL1 (0.36) LIPELPLLIPGUCHL1NPC1
SCHEMBL365301 0.84 L3MBTL1 (0.36) LIPELPLLIPGUCHL1NPC1
SCHEMBL31441573 0.83 LIPE (0.35) LIPELPLLIPGROCK2GRM5
SCHEMBL29760199 0.83 LIPE (0.44) LIPELPLLIPGROCK2
SCHEMBL1485098 0.83 LIPE (0.35) LIPELPLLIPGROCK2GRM5
SCHEMBL1360468 0.83 TDP1 (0.44) LIPELPLLIPGTDP1
SCHEMBL29108916 0.83 LIPE (0.44) LIPELPLLIPGROCK2

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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists H. LUNDBECK A/S (DK) 2026-03-31 US disclosed
US-20250270222-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF SATELLOS BIOSCIENCE INC. (CA) 2025-08-28 US disclosed
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2025-08-21 US disclosed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-20250163032-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20250122207-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF SATELLOS BIOSCIENCE INC. (CA) 2025-04-17 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (12 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-20250122207-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF AAK1, CAMKK1, AP2A1 APLNR 697/4885LIPE 2776/4885ALPL 2318/4885
US-20250163032-A1 NOVEL MOLECULES AS INHIBITORS OF DNA DAMAGE REPAIR PATHWAY ERCC2, DDB1, UNG APLNR 3417/4885LIPE 3860/4885ALPL 2436/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A APLNR 2525/4885LIPE 196/4885ALPL 742/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 APLNR 3774/4885LIPE 4614/4885ALPL 4027/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 APLNR 4621/4885LIPE 4249/4885ALPL 3298/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A APLNR 4105/4885LIPE 872/4885ALPL 1602/4885
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists HCRTR2, HCRTR1, OXER1 APLNR 496/4885LIPE 3059/4885ALPL 4856/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D APLNR 1665/4885LIPE 2972/4885ALPL 2763/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 APLNR 2370/4885LIPE 2492/4885ALPL 2976/4885
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 APLNR 337/4885LIPE 2910/4885ALPL 4871/4885
US-20250270222-A1 AP2 ASSOCIATED KINASE 1 INHIBITORS AND USES THEREOF AAK1, AP2A1, CSNK1A1 APLNR 948/4885LIPE 3561/4885ALPL 2983/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B APLNR 3392/4885LIPE 3084/4885ALPL 4534/4885

“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.