SCHEMBL3207882

SCHEMBL3207882

NC1CCC(c2ncc3ccccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
OGG1 O15527 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
EGFR P00533 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPK8 P45983 1/20 0.34
PDE10A Q9Y233 4/20 0.34
PDE5A O76074 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ACHE P22303 2/20 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
SCHEMBL3207888 1.00 CDK7 (0.40) CDK7CDK9HTR3AHRH4OGG1
SCHEMBL15819435 0.91 HTR3A (0.41) HTR3AHRH4OGG1KDM4EGPR3
SCHEMBL30200310 0.91 HTR3A (0.41) HTR3AHRH4OGG1KDM4EGPR3
SCHEMBL22507042 0.85 HTR3A (0.37) CDK7CDK9HTR3AHRH4KDM4E
SCHEMBL27580633 0.84 PDE5A (0.42) HTR3AHRH4OGG1KDM4EGPR3
SCHEMBL20993375 0.83 CDK7 (0.40) CDK7CDK9HTR3AHRH4OGG1
SCHEMBL20993437 0.83 CDK7 (0.40) CDK7CDK9HTR3AHRH4OGG1
SCHEMBL20993222 0.83 CDK7 (0.40) CDK7CDK9HTR3AHRH4OGG1
SCHEMBL7574609 0.83 PDE5A (0.48) HTR3AHRH4OGG1KDM4EGPR3
SCHEMBL31326059 0.83 PDE5A (0.48) HTR3AHRH4OGG1KDM4EGPR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (3 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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 CDK7 2547/4885CDK9 2889/4885HTR3A 2777/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 CDK7 2663/4885CDK9 3102/4885HTR3A 2779/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 CDK7 2405/4885CDK9 2924/4885HTR3A 2808/4885

“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.