SCHEMBL6475204

SCHEMBL6475204

CCOC(=O)CCN1CCn2nc(C(=O)OCc3ccccc3)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.45
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
SLC6A2 P23975 2/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
CHRM1 P11229 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL6481898 0.94 PKM (0.48) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL7299651 0.85 GRM5 (0.41) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL6474441 0.85 POLB (0.52) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL2526216 0.83 ALDH1A1 (0.64) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL6474409 0.82 ITGB3 (0.46) PKMSMN1; SMN2ITGB3ITGA2BLMNA
SCHEMBL7300441 0.80 GRM5 (0.40) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL6474034 0.79 POLB (0.50) PKMALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL7678810 0.77 SMN1; SMN2 (0.44) PKMSMN1; SMN2ITGB3ITGA2BLMNA
SCHEMBL6480916 0.77 ITGB3 (0.47) SMN1; SMN2ITGB3ITGA2BLMNA
SCHEMBL7304398 0.77 ITGB3 (0.38) PKMALDH1A1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 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 (1 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-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG PKM 4641/4885ALDH1A1 3286/4885CYP1A2 2978/4885

“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.