SCHEMBL6718860

SCHEMBL6718860

C[C@](N)(Cc1ccc2c(c1)OOC2)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ BLM P54132 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ MTOR P42345 1/20 0.54

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
SCHEMBL9579912 0.86 KDM4E (0.36) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL14478274 0.78 CYP3A4 (0.54) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL13957646 0.76 CYP3A4 (0.57) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL6718864 0.76 CYP3A4 (0.57) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL4673253 0.74 ALDH1A1 (0.36) CYP1A2ALDH1A1POLBCYP3A4HPGD
SCHEMBL7835653 0.73 FFAR1 (0.43) LTB4RLTB4R2
SCHEMBL10340798 0.72 SLC7A5 (0.51) KDM4EALOX15HSD17B10TDP1USP2
SCHEMBL11335703 0.72 MAPT (0.49) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL7255253 0.71 GAA (0.51) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL7074719 0.71 TAAR1 (0.34) —

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 12 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
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

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 1710/4885BLM 4877/4885KDM4E 1203/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CYP1A2 2289/4885BLM 4881/4885KDM4E 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.

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