SCHEMBL6716459

SCHEMBL6716459

Cc1cc(=O)[nH]c2ccc(C[C@](C)(N)C(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ BLM P54132 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ MTOR P42345 1/20 0.52

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
SCHEMBL11323454 0.80 HPGD (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11600302 0.78 MAPT (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL30639791 0.77 HPGD (0.68) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL20424627 0.77 HPGD (0.68) KDM4EALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL11602627 0.77 MAPT (0.56) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6714833 0.75 LMNA (0.56) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6718046 0.74 HPGD (0.56) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6714716 0.74 ALDH1A1 (0.52) KDM4EALDH1A1HPGDGAAMAPT
Water SCHEMBL11335239 0.74 LMNA (0.55) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL2056350 0.74 LMNA (0.59) KDM4EALDH1A1HPGDGAAMAPT

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 17 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-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
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 KDM4E 1203/4885ALDH1A1 100/4885HPGD 150/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH KDM4E 935/4885ALDH1A1 114/4885HPGD 205/4885

“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.

Send feedback