SCHEMBL6326552

SCHEMBL6326552

N[C@@H](Cc1cn(CCc2ccccc2)cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
CPB2 Q96IY4 10/20 0.44
CPB1 P15086 4/20 0.44
CYP1A2 P05177 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL8345790 0.87 CPB2 (0.43) CPB2CPB1
SCHEMBL4956555 0.86 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL41832 0.86 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL289025 0.86 ALPI (0.53) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3845446 0.85 CYP1A2 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL471990 0.81 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18071084 0.81 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6328167 0.81 CPB2 (0.64) CPB2CPB1CYP1A2
SCHEMBL10583023 0.81 CPB2 (0.64) CPB2CPB1CYP1A2
SCHEMBL2489370 0.80 CPB2 (0.46) SLC7A5ALPIPKMPTGS1XIAP

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 4 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

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 SLC7A5 2098/4885ALPI 3280/4885PKM 2601/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 SLC7A5 2098/4885ALPI 3280/4885PKM 2601/4885

“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.