SCHEMBL7236540

SCHEMBL7236540

CCC1=C(N(C=O)CC)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCC#N)=CN1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1D Q01668 8/20 0.34
CACNA1F O60840 7/20 0.34
CACNA1S Q13698 7/20 0.34
CACNA1C Q13936 7/20 0.34
CACNA1B Q00975 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7243873 0.85 ADRA1A (0.39) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7242862 0.85 ADRA1A (0.39) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7240694 0.85 ADRA1A (0.41) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7244680 0.79 ADORA3 (0.54) ADRA1AADORA3MEN1KMT2ACACNA1D
SCHEMBL7243692 0.78 ADORA3 (0.42) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7245390 0.75 ADORA3 (0.40) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7236794 0.75 ADORA3 (0.43) ADRA1AADORA3MEN1KMT2AATM
SCHEMBL7244035 0.74 ADRA1A (0.39) ADRA1AADORA3ATML3MBTL1CACNA1D
SCHEMBL7243776 0.72 ADORA3 (0.52) ADRA1AADORA3MEN1KMT2ACACNA1D
SCHEMBL7238021 0.72 ADORA3 (0.41) ADRA1AADORA3MEN1KMT2AATM

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 2 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

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 ADRA1A 73/4885ADORA3 2012/4885MEN1 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.