SCHEMBL1163533

SCHEMBL1163533

N[C@@H]1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MAP3K14 Q99558 1/20 0.38
DPP4 P27487 1/20 0.36
SSTR4 P31391 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HTR2A P28223 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL30563663 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL129846 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29858755 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL2627039 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL193981 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29764040 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL29484136 0.98 ITGB2 (0.44) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL432891 0.98 ITGB2 (0.44) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL29484132 0.98 ITGB2 (0.44) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL431787 0.98 ITGB2 (0.44) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112209991-B Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-08-12 CN claimed
US-20260007680-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-08 US disclosed
US-20260001876-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-01 US disclosed
US-20250388604-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2025-12-25 US disclosed
EP-3151920-B1 USE OF INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS IN HIV THERAPY SANFORD BURNHAM MED RES INST (US) 2025-08-06 EP disclosed
EP-4572761-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
EP-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
US-20250074901-A1 NOVEL HETEROARYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2025-03-06 US disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
EP-4433453-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS Icagen, LLC (US) 2024-09-25 EP disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-6919347-B2 Bradykinin B1 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-07-19 US disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 US disclosed
EP-1196411-B1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA INC (US) 2003-09-17 EP disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 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 (7 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-20250074901-A1 NOVEL HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A43, F12 ITGB2 3990/4885ICAM1 4866/4885ITGAL 3617/4885
US-20260001876-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE7A ITGB2 2054/4885ICAM1 4770/4885ITGAL 3208/4885
US-20260007680-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B ITGB2 3532/4885ICAM1 4841/4885ITGAL 3976/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD ITGB2 2784/4885ICAM1 1603/4885ITGAL 2556/4885
US-20250388604-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B ITGB2 3086/4885ICAM1 4773/4885ITGAL 3501/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 ITGB2 4387/4885ICAM1 1618/4885ITGAL 3682/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 ITGB2 2921/4885ICAM1 205/4885ITGAL 4214/4885

“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.