SCHEMBL9607917

SCHEMBL9607917

CC(=O)C=C1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
ADORA1 P30542 1/20 0.32
RAD52 P43351 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SETD7 Q8WTS6 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL8325073 0.82 CYP3A4 (0.37) CYP1A2TDP1KDM4EHRH3ALDH1A1
SCHEMBL13804058 0.80 CYP1A2 (0.43) CYP1A2TDP1CHRNB2CHRNA4KDM4E
SCHEMBL14855399 0.80 KDM4E (0.38) CYP1A2TDP1KDM4EHRH3ALDH1A1
SCHEMBL10875785 0.80 HRH3 (0.33) CYP1A2TDP1KDM4EHRH3ALDH1A1
SCHEMBL319395 0.80
SCHEMBL5194099 0.78 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL21357464 0.77 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL6311949 0.77 TSHR (0.38) KDM4EHRH3ALDH1A1HPGDMAOA
SCHEMBL661753 0.75
SCHEMBL1581890 0.75

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-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 CYP1A2 957/4885TDP1 4774/4885CHRNB2 436/4885

“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.