SCHEMBL7236173

SCHEMBL7236173

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.66
ADORA3 P0DMS8 3/20 0.62
ADRA1A P35348 2/20 0.57
CACNA1C Q13936 10/20 0.55
CACNA1F O60840 9/20 0.55
CACNA1D Q01668 9/20 0.55
CACNA1S Q13698 9/20 0.55
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1B P35368 1/20 0.52
PDE1C Q14123 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
CACNA1H O95180 1/20 0.49
NR3C1 P04150 1/20 0.49
TBXA2R P21731 1/20 0.49

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
SCHEMBL7237835 0.89 PDE1C (0.65) CACNA1BADORA3ADRA1ACACNA1CCACNA1F
SCHEMBL8298086 0.88 CACNA1C (0.71) CACNA1BADORA3CACNA1CCACNA1FCACNA1D
SCHEMBL9264367 0.88 CACNA1C (0.71) CACNA1BADORA3CACNA1CCACNA1FCACNA1D
SCHEMBL8301606 0.88 CACNA1C (0.71) CACNA1BADORA3CACNA1CCACNA1FCACNA1D
SCHEMBL8298083 0.88 CACNA1C (0.71) CACNA1BADORA3CACNA1CCACNA1FCACNA1D
SCHEMBL27516111 0.88 ADRA1A (0.58) CACNA1BADORA3ADRA1ACACNA1CCACNA1F
SCHEMBL5854523 0.87 CACNA1B (0.80) CACNA1BADORA3ADRA1ACACNA1CCACNA1F
SCHEMBL5854519 0.87 CACNA1B (0.80) CACNA1BADORA3ADRA1ACACNA1CCACNA1F
SCHEMBL7239516 0.86 CACNA1B (0.49) CACNA1BADORA3ADRA1ACACNA1CCACNA1F
SCHEMBL9263384 0.84 CACNA1B (0.64) CACNA1BADORA3ADRA1ACACNA1CCACNA1F

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 2012/4885ADRA1A 73/4885

“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.