SCHEMBL7239129

SCHEMBL7239129

CC1=C(NC=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.53
ADORA3 P0DMS8 2/20 0.51
BACE1 P56817 1/20 0.47
ADRA2A P08913 8/20 0.40
ADRA2B P18089 8/20 0.40
ADRA2C P18825 8/20 0.40
ADRA1D P25100 8/20 0.40
ADRA1A P35348 8/20 0.40
ADRA1B P35368 8/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GUSB P08236 1/20 0.39
GAA P10253 1/20 0.39
CACNA1D Q01668 3/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1S Q13698 2/20 0.39

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
SCHEMBL7240146 0.88 ADORA3 (0.47) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7246814 0.87 CACNA1B (0.46) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7239196 0.86 CACNA1B (0.57) CACNA1BADORA3MEN1LMNAMAPT
SCHEMBL7034433 0.85 CACNA1B (0.64) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7236641 0.81 ADRA1D (0.45) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7238674 0.80 CACNA1B (0.41) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7235504 0.80 CACNA1B (0.59) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7247302 0.80 ADORA3 (0.53) CACNA1BADORA3BACE1ADRA2AADRA2B
SCHEMBL7160127 0.79 ADORA3 (0.78) CACNA1BADORA3ADRA2AADRA2BADRA2C
SCHEMBL9393724 0.79 CACNA1B (0.58) CACNA1BADORA3BACE1ADRA2AADRA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608086-B2 Selective adrenergic receptor alpha 1C antagonists without significant calcium channel activity; treating benign prostatic hyperplasia, intraocular pressure and inhibiting cholesterol synthesis SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-19 US disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 US disclosed
US-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed
US-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 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 (1 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-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 CACNA1B 272/4885ADORA3 2012/4885BACE1 2242/4885

“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.