SCHEMBL7247302

SCHEMBL7247302

CCCC(=O)NC1=C(C)NC(C)=C(C(=O)O)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.53
CACNA1B Q00975 2/20 0.50
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GUSB P08236 1/20 0.41
CACNA1D Q01668 3/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
HIF1A Q16665 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL7952602 0.84 MAPT (0.46) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7243770 0.82 ADORA3 (0.56) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7034433 0.81 CACNA1B (0.64) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7239129 0.80 CACNA1B (0.53) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7235504 0.76 CACNA1B (0.59) ADORA3CACNA1BBACE1ALDH1A1GUSB
SCHEMBL7160127 0.76 ADORA3 (0.78) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL9393724 0.75 CACNA1B (0.58) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7239366 0.73 CACNA1B (0.52) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7240146 0.73 ADORA3 (0.47) ADORA3CACNA1BMAPTMEN1KMT2A
SCHEMBL7242237 0.72 CACNA1B (0.53) ADORA3CACNA1BMAPTMEN1KMT2A

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 ADORA3 2012/4885CACNA1B 272/4885MAPT 3869/4885

“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.