SCHEMBL6716632

SCHEMBL6716632

CC[C@](N)(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
ENPP2 Q13822 1/20 0.44
DRD2 P14416 5/20 0.43
DRD3 P35462 4/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 3/20 0.42
BLM P54132 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL6724533 0.92 GRM2 (0.47) CTBP2GRM2GRM3ARG1ARG2
SCHEMBL11016121 0.92 GRM2 (0.47) CTBP2GRM2GRM3ARG1ARG2
SCHEMBL6716339 0.90 ARG1 (0.51) CTBP2GRM2GRM3ARG1ARG2
SCHEMBL2896017 0.84 GRM2 (0.45) CTBP2GRM2GRM3ARG1ARG2
SCHEMBL9457635 0.83 SMN1; SMN2 (0.60) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL14743437 0.83 SMN1; SMN2 (0.60) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL2172319 0.83 SMN1; SMN2 (0.60) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL5283032 0.81 ARG1 (0.51) ARG1ARG2SMN1; SMN2HIF1ATAAR1
SCHEMBL586073 0.81 BLM (0.65) CTBP2GRM2GRM3ENPP2DRD2
SCHEMBL586074 0.81 BLM (0.65) CTBP2GRM2GRM3ENPP2DRD2

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 CTBP2 4587/4885GRM2 117/4885GRM3 155/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CTBP2 4711/4885GRM2 120/4885GRM3 112/4885

“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.