SCHEMBL6724465

SCHEMBL6724465

C#CC(N)(Cc1ncc[nH]1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
TBXAS1 P24557 2/20 0.41
TAAR1 Q96RJ0 6/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.33
FPR2 P25090 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR1A P08908 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
TERT O14746 1/20 0.31

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
SCHEMBL10838735 0.78 FDPS (0.54) FDPSTBXAS1TAAR1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL10837985 0.76 FDPS (0.53) FDPSTBXAS1TAAR1GAASMN1; SMN2
SCHEMBL6720014 0.73 FDPS (0.45) FDPSTBXAS1TAAR1GAASMN1; SMN2
SCHEMBL10806615 0.72 FDPS (0.42) FDPSTBXAS1TAAR1GAASMN1; SMN2
SCHEMBL12909221 0.72 FDPS (0.51) FDPSTBXAS1TAAR1GAASMN1; SMN2
SCHEMBL11612902 0.71 DGAT1 (0.34)
SCHEMBL11609304 0.71 DGAT1 (0.35)
SCHEMBL8820621 0.70 FDPS (0.52) FDPSTBXAS1TAAR1SMN1; SMN2ALOX15
SCHEMBL6720053 0.70
SCHEMBL11615111 0.70 ARG1 (0.50) FDPSTBXAS1KDM4EHRH4

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 FDPS 558/4885TBXAS1 4337/4885TAAR1 790/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH FDPS 634/4885TBXAS1 3966/4885TAAR1 502/4885

“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.