SCHEMBL6400934

SCHEMBL6400934

CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](Cc2c[nH]cn2)C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 17/20 0.47
KDM6A O15550 1/20 0.42
CTSK P43235 2/20 0.42
CCR5 P51681 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
SCHEMBL6325415 1.00 KDM4D (0.47) KDM4DKDM6ACTSKCCR5
SCHEMBL6327558 0.91 KDM4D (0.45) KDM4DKDM6ACTSK
SCHEMBL8348986 0.91 KDM4D (0.45) KDM4DKDM6ACTSK
SCHEMBL6333894 0.82 KDM4D (0.46) KDM4DKDM6A
SCHEMBL6326900 0.82 CTSL (0.51) CTSK
SCHEMBL8366110 0.79 CTSK (0.52) KDM4DKDM6ACTSK
SCHEMBL6335174 0.78 KCNA3 (0.43) KDM4D
SCHEMBL6326986 0.78 KCNA3 (0.43) KDM4D
SCHEMBL6335407 0.78 KCNA3 (0.43) KDM4D
SCHEMBL8349034 0.77 CTSL (0.49) CTSK

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-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6759426-B2 RESPIRATORY SYSTREM DISORDERS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISORDERS PFIZER INC 2004-07-06 US disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 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 (3 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-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 KDM4D 1606/4885KDM6A 1289/4885CTSK 688/4885
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KDM4D 3673/4885KDM6A 2138/4885CTSK 3370/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KDM4D 3673/4885KDM6A 2138/4885CTSK 3370/4885

“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.