SCHEMBL3208618

SCHEMBL3208618

Cc1cc(C)nc(C2CCC(N)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
HRH3 Q9Y5N1 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CHRM3 P20309 8/20 0.35
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
SMYD3 Q9H7B4 1/20 0.34
MAP4K4 O95819 1/20 0.34
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRM4 P08173 1/20 0.33
HTT P42858 1/20 0.33
LDHA P00338 1/20 0.32

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
SCHEMBL3208621 1.00 PDE10A (0.42) PDE10AHRH3JAK2JAK1TYK2
SCHEMBL13033012 0.89 PDE10A (0.50) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL24500132 0.81 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL28979288 0.80 HTT (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL18069346 0.80 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL12539203 0.78 GSK3A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL28415151 0.78 SPHK1 (0.37) HRH3JAK2JAK1TYK2JAK3
SCHEMBL21211777 0.77 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL28301853 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL23219923 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C

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 PDE10A 3196/4885HRH3 62/4885JAK2 13/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 PDE10A 2715/4885HRH3 36/4885JAK2 9/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 PDE10A 2912/4885HRH3 46/4885JAK2 18/4885

“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.