SCHEMBL6325305

SCHEMBL6325305

O=C(N[C@H]1CCN([C@@H](Cc2cn(CCCC3CCCCC3)cn2)C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
EPHX1 P07099 1/20 0.40
HSD11B1 P28845 1/20 0.39
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6404005 0.95 CPB1 (0.48) CPB1CPB2CTSLCTSBCTSK
SCHEMBL6327080 0.95 CPB1 (0.48) CPB1CPB2CTSLCTSBCTSK
SCHEMBL8366282 0.94 CTSL (0.42) CPB1CPB2CTSLCTSBCTSK
SCHEMBL8349522 0.89 CPB1 (0.45) CPB1CPB2CTSLCTSBCTSK
SCHEMBL6328692 0.88 CTSL (0.47) CPB2CTSLCTSBCTSKHSD11B1
SCHEMBL6324935 0.87 CTSL (0.46) CPB1CPB2CTSLCTSBCTSK
SCHEMBL6324698 0.87 CTSL (0.46) CPB2CTSLCTSBCTSKHSD11B1
SCHEMBL8364526 0.82 CTSK (0.46) CTSLCTSBCTSKHSD11B1DPP4
SCHEMBL8349084 0.82 CTSL (0.46) CTSLCTSBCTSKHSD11B1DPP4
SCHEMBL8347734 0.82 CTSL (0.46) CPB1CPB2CTSLCTSBCTSK

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-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
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 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 (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-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CPB1 1085/4885CPB2 733/4885CTSL 2299/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CPB1 1085/4885CPB2 733/4885CTSL 2299/4885

“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.