SCHEMBL6717693

SCHEMBL6717693

C#C[C@](N)(Cc1ccccc1OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL6717699 1.00 HPGD (0.42) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6717502 0.84 MEN1 (0.43) HPGDMEN1KMT2AIDO1TAAR1
SCHEMBL6717592 0.82 HSD17B10 (0.54) MEN1KMT2AIDO1TAAR1MTNR1A
SCHEMBL6720091 0.82 HSD17B10 (0.54) MEN1KMT2AIDO1TAAR1MTNR1A
SCHEMBL28948497 0.79 SMN1; SMN2 (0.47) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL1133249 0.79 BLM (0.46) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL28394362 0.77 IDO1 (0.44) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL4460773 0.75 HIF1A (0.49) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL9402156 0.75 SMN1; SMN2 (0.58) TAAR1SMN1; SMN2HIF1AALDH1A1
SCHEMBL3805381 0.75 HPGD (0.45) HPGDMEN1KMT2ANPC1RAB9A

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 14 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
EP-0008658-B1 ALPHA-ETHINYL-ALPHA-AMINOACIDS AND THEIR ESTERS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-12-01 EP disclosed
EP-0008658-A1 Alpha-ethinyl-alpha-aminoacids and their esters, and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-03-19 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 HPGD 150/4885MEN1 1837/4885KMT2A 1567/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH HPGD 205/4885MEN1 1138/4885KMT2A 1568/4885

“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.