SCHEMBL6718607

SCHEMBL6718607

C[C@@](N)(Cc1ccc(O)c(Cl)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.74
CYP3A4 P08684 3/20 0.74
HSD17B10 Q99714 3/20 0.74
BLM P54132 2/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
POLB P06746 2/20 0.74
MAPT P10636 2/20 0.74
HPGD P15428 2/20 0.74
ALOX15 P16050 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
MEN1 O00255 1/20 0.74
USP2 O75604 1/20 0.74
EGFR P00533 1/20 0.74
FYN P06241 1/20 0.74
GAA P10253 1/20 0.74
APEX1 P27695 1/20 0.74
ADRA1A P35348 1/20 0.74
PTGS2 P35354 1/20 0.74
MTOR P42345 1/20 0.74

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
SCHEMBL6348579 1.00 CYP1A2 (0.74) CYP1A2CYP3A4HSD17B10BLMKDM4E
SCHEMBL6348576 1.00 CYP1A2 (0.74) CYP1A2CYP3A4HSD17B10BLMKDM4E
SCHEMBL9316859 0.92 BLM (0.63) CYP1A2CYP3A4HSD17B10BLMKDM4E
SCHEMBL9775967 0.87 MAPT (0.64) CYP1A2CYP3A4HSD17B10BLMKDM4E
SCHEMBL9422794 0.87 MAPT (0.64) CYP1A2CYP3A4HSD17B10BLMKDM4E
SCHEMBL7107116 0.87 MAPT (0.64) CYP1A2CYP3A4HSD17B10BLMKDM4E
Methyldopa (Racemic) SCHEMBL196981 0.85 KDM4E (1.00) CYP1A2CYP3A4HSD17B10BLMKDM4E
Methyldopa SCHEMBL29352376 0.85 KDM4E (1.00) CYP1A2CYP3A4HSD17B10BLMKDM4E
Methyldopa SCHEMBL30176814 0.85 KDM4E (1.00) CYP1A2CYP3A4HSD17B10BLMKDM4E
Methyldopa SCHEMBL34003 0.85 KDM4E (1.00) CYP1A2CYP3A4HSD17B10BLMKDM4E

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 10 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
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

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 CYP1A2 1710/4885CYP3A4 1387/4885HSD17B10 268/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CYP1A2 2289/4885CYP3A4 2033/4885HSD17B10 392/4885

“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.