SCHEMBL6717499

SCHEMBL6717499

C[C@](N)(Cc1ccc(CN)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.73
CYP1A2 P05177 5/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
ALOX15 P16050 2/20 0.62
RECQL P46063 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
EGFR P00533 1/20 0.62
FYN P06241 1/20 0.62
GAA P10253 1/20 0.62
APEX1 P27695 1/20 0.62
ADRA1A P35348 1/20 0.62
PTGS2 P35354 1/20 0.62

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
SCHEMBL6717498 1.00 BLM (0.73) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11527237 0.96 BLM (0.69) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11335724 0.96 BLM (0.69) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11527241 0.96 BLM (0.69) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11335726 0.96 BLM (0.69) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Racemetyrosine SCHEMBL61871 0.85 BLM (1.00) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11335298 0.85 BLM (0.73) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Metyrosine SCHEMBL50398 0.85 BLM (1.00) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Metyrosine SCHEMBL162280 0.85 BLM (1.00) BLMCYP1A2KDM4ECYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11335295 0.85 BLM (0.73) BLMCYP1A2KDM4ECYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 US claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH BLM 4877/4885CYP1A2 1710/4885KDM4E 1203/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH BLM 4881/4885CYP1A2 2289/4885KDM4E 935/4885

“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.