SCHEMBL4138087

SCHEMBL4138087

O=C(O)C[C@H](NC(=O)C1CCC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
RECQL P46063 1/20 0.61
LMNA P02545 2/20 0.60
ITGB3 P05106 3/20 0.57
ITGA2B P08514 3/20 0.57
F2R P25116 1/20 0.55
CCR5 P51681 4/20 0.52
KCNH2 Q12809 1/20 0.50
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9830370 1.00 SMN1; SMN2 (0.63) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL4696189 0.97 SMN1; SMN2 (0.67) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL4696193 0.97 SMN1; SMN2 (0.67) SMN1; SMN2RECQLLMNAITGB3ITGA2B
Formic Acid SCHEMBL27557118 0.94 SMN1; SMN2 (0.58) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL9829153 0.94 ITGB3 (0.59) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL4130312 0.88 RECQL (0.62) SMN1; SMN2RECQLLMNACCR5KCNH2
SCHEMBL1573959 0.86 RECQL (0.59) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL1573757 0.86 RECQL (0.59) SMN1; SMN2RECQLLMNAITGB3ITGA2B
SCHEMBL5424938 0.85 LMNA (0.61) SMN1; SMN2RECQLLMNACCR5KCNH2
SCHEMBL7113507 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RECQLLMNAITGB3ITGA2B

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-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed
US-6511994-B2 For prophylaxis and therapy of infection by HIV and the treatment of AIDS MERCK & CO., INC. 2003-01-28 US disclosed
US-20020193407-A1 Modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-19 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-20020193407-A1 Modulators of CCR5 chemokine receptor activity CCR5, CXCR3, CXCR1 SMN1; SMN2 4601/4885RECQL 317/4885LMNA 4615/4885
US-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 SMN1; SMN2 4870/4885RECQL 1937/4885LMNA 4759/4885

“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.