SCHEMBL6725312

SCHEMBL6725312

CC(N)(Cc1ccc2[nH]ccc2c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.56
▸ PTGS2 P35354 2/20 0.56
▸ USP2 O75604 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ MTOR P42345 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CASP6 P55212 1/20 0.56

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
SCHEMBL6725308 1.00 BLM (0.56) BLMPTGS2USP2GAAALOX15
SCHEMBL9316944 0.86 BLM (0.43) BLMPTGS2USP2GAAALOX15
SCHEMBL4406628 0.78 CYP2A6 (0.46) USP2GAAALOX15MAPTCYP1A2
SCHEMBL9316955 0.77 MEN1 (0.39) BLMPTGS2USP2GAAALOX15
SCHEMBL5496055 0.77 NPC1 (0.44) MAPTKDM4EEGFRCTNNB1WNT3A
SCHEMBL10829530 0.77 HDAC1 (0.44) HDAC1HDAC8CTNNB1WNT3AENPP2
SCHEMBL8939501 0.76 CYP1A2 (0.62) BLMPTGS2USP2GAAALOX15
SCHEMBL29982408 0.76 CYP1A2 (0.62) BLMPTGS2USP2GAAALOX15
SCHEMBL11600302 0.75 MAPT (0.57) BLMPTGS2USP2GAAALOX15
SCHEMBL11558120 0.75 KDM4E (0.54) BLMPTGS2USP2GAAALOX15

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-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-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 4877/4885PTGS2 1692/4885USP2 792/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH BLM 4881/4885PTGS2 1872/4885USP2 1165/4885

“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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