SCHEMBL6716504

SCHEMBL6716504

C[C@@](N)(Cc1c[nH]c2ccc(O)cc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ NFKB1 P19838 3/20 0.59
▸ CYP2C9 P11712 3/20 0.59
▸ PMP22 Q01453 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ GLA P06280 1/20 0.59
▸ HTR2C P28335 7/20 0.56
▸ HTR1A P08908 5/20 0.56
▸ HTR2A P28223 5/20 0.56
▸ HTR2B P41595 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ BLM P54132 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ KMT2A Q03164 2/20 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
SCHEMBL6716510 1.00 NPSR1 (0.59) NPSR1ALDH1A1LMNATSHRNFKB1
SCHEMBL11387363 1.00 NPSR1 (0.59) NPSR1ALDH1A1LMNATSHRNFKB1
SCHEMBL21266306 0.85 TSHR (0.60) TSHRHTR2CHTR1AHTR2ASLC6A4
SCHEMBL9772865 0.84 HTR2C (0.60) NPSR1ALDH1A1LMNATSHRNFKB1
SCHEMBL11369338 0.84 NPSR1 (0.50) NPSR1ALDH1A1LMNATSHRNFKB1
SCHEMBL11369340 0.84 NPSR1 (0.50) NPSR1ALDH1A1LMNATSHRNFKB1
SCHEMBL1484207 0.83 KDM4E (0.64) NPSR1ALDH1A1TSHRNFKB1PMP22
SCHEMBL162554 0.82 MAPT (0.54) ALDH1A1LMNATSHRPMP22HPGD
SCHEMBL200589 0.82 MAPT (0.54) ALDH1A1LMNATSHRPMP22HPGD
SCHEMBL29434606 0.82 MAPT (0.54) ALDH1A1LMNATSHRPMP22HPGD

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 NPSR1 622/4885ALDH1A1 100/4885LMNA 3547/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH NPSR1 537/4885ALDH1A1 114/4885LMNA 3420/4885

“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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