SCHEMBL7235708

SCHEMBL7235708

CCCC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C(C)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.69
CACNA1B Q00975 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HIF1A Q16665 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2D6 P10635 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
ADRA1D P25100 7/20 0.52
ADRA1A P35348 7/20 0.52

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
SCHEMBL7244590 0.92 ADORA3 (0.64) ADORA3CACNA1BMEN1KMT2AHIF1A
SCHEMBL7241522 0.87 ADORA3 (0.55) ADORA3MEN1KMT2AMAPTPOLB
SCHEMBL7160127 0.86 ADORA3 (0.78) ADORA3CACNA1BMEN1KMT2AHIF1A
SCHEMBL7237237 0.84 CACNA1F (0.58) ADORA3MEN1KMT2APOLBTSHR
SCHEMBL7236402 0.84 ALDH1A1 (0.60) ADORA3MEN1KMT2AMAPTPOLB
SCHEMBL7160123 0.84 ADORA3 (0.85) ADORA3CACNA1BMEN1KMT2AHIF1A
SCHEMBL7159073 0.82 ADORA3 (1.00) ADORA3MEN1KMT2AHIF1AMAPT
SCHEMBL7164456 0.81 ADORA3 (0.85) ADORA3MEN1KMT2AHIF1AMAPT
SCHEMBL10611864 0.81 ADORA3 (0.71) ADORA3CACNA1BMEN1KMT2AHIF1A
SCHEMBL7237214 0.80 ADORA3 (0.82) ADORA3MEN1KMT2AHIF1AMAPT

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 272/4885MEN1 2239/4885

“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.