SCHEMBL10364862

SCHEMBL10364862

C=COC(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.38
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.35
POLB P06746 2/20 0.35
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6354408 0.89
SCHEMBL285009 0.89 ALDH1A1 (0.33) HTTPOLBSMN1; SMN2
SCHEMBL303849 0.80 CYP1A2 (0.52) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL25924206 0.80 ALDH1A1 (0.42) HTTHSD11B1POLBLMNAGAA
SCHEMBL8643734 0.80 HSD11B1 (0.43) TDP1HTTHSD11B1POLBSMN1; SMN2
SCHEMBL15932284 0.79 HRH3 (0.35) HTTPOLBSMN1; SMN2
SCHEMBL8646259 0.78 ALDH1A1 (0.45) HTTHSD11B1POLBLMNAGAA
SCHEMBL10365770 0.78 CYP1A2 (0.50) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL8262866 0.76 GAA (0.47) POLBPHGDHMGLLLMNAGAA
SCHEMBL4341361 0.75 CA2 (0.43) HSD11B1POLB

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-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2016-01-14 US disclosed
US-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 US disclosed
EP-0104984-B1 VINYLCARBAMIC ACID ESTERS AND THEIR PREPARATION SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-05-16 EP disclosed
US-4772695-A DEHYDROHALOGENATION, INSECTICIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-09-20 US disclosed
EP-0104984-A2 Vinylcarbamic acid esters and their preparation SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1984-04-04 EP 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 (2 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-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CYP1A2 1447/4885TDP1 783/4885HTR1A 1395/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CYP1A2 1447/4885TDP1 783/4885HTR1A 1395/4885

“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.