SCHEMBL772117

SCHEMBL772117

COC(=O)N1C[CH]CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2C9 P11712 4/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 2/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 3/20 0.36
TSHR P16473 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL771369 0.88
SCHEMBL1712862 0.88 CYP1A2 (0.47) CYP1A2CYP2C9ALDH1A1CYP2D6L3MBTL1
SCHEMBL1712991 0.84 CYP1A2 (0.45) CYP1A2CYP2C9ALDH1A1CYP2D6L3MBTL1
SCHEMBL1069568 0.81 TSHR (0.46) ALDH1A1L3MBTL1KMT2AMAPTTSHR
SCHEMBL9987835 0.79 PDE4B (0.36) CYP1A2CYP2C9ALDH1A1CYP2D6KMT2A
SCHEMBL833441 0.79 HPGD (0.47) ALDH1A1USP2KMT2AMAPTSMN1; SMN2
SCHEMBL9987836 0.79 CYP1A2 (0.33) CYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL9987838 0.79 CYP1A2 (0.33) CYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL4277569 0.78
SCHEMBL772568 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN claimed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO claimed
JP-4613157-B2 2011-01-12 JP claimed
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP claimed
EP-1235595-B1 INTEGRIN-MEDIATED DRUG TARGETING ALBERS MARKUS (DE) 2009-08-05 EP claimed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP claimed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US claimed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US claimed
WO-2002072151-A1 ENZYME-ACTIVATED CYTOSTATIC CONJUGATES WITH INTEGRIN LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
EP-1238678-A1 Enzyme-activated cytostatic conjugates with integrin ligands Bayer Aktiengesellschaft (DE) 2002-09-11 EP claimed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP claimed
WO-2002051444-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO claimed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 EP claimed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP claimed
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists SCHOOP ANDREAS (DE) 2001-10-18 US claimed
US-6291503-B1 β-phenylalanine derivatives as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US claimed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed

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-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 CYP1A2 4391/4885CYP2C9 3549/4885ALDH1A1 4711/4885
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 CYP1A2 2760/4885CYP2C9 2296/4885ALDH1A1 2010/4885

“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.