SCHEMBL6700510

SCHEMBL6700510

Cc1ccc(N2CCC(C)(N)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.57
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
DHFR P00374 1/20 0.46
BPTF Q12830 1/20 0.43
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 1/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL645763 0.82 PTPN11 (0.54) PTPN11GPR119MAPK3MAPK1KCNH2
SCHEMBL21424864 0.82 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12858975 0.81 GRIN2D (0.49) PTPN11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18936172 0.81 GRIN2D (0.46) PTPN11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27364325 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL647552 0.78 PTPN11 (0.60) PTPN11GPR119
SCHEMBL648751 0.78 KDM4E (0.54) PTPN11GPR119
SCHEMBL649950 0.78 OGA (0.48) PTPN11GPR119
SCHEMBL6701262 0.78 PTPN11 (0.50) PTPN11KCNH2DRD3HTR1ADRD4
SCHEMBL806544 0.78 CNR2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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 (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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 PTPN11 1064/4885GRIN2D 1033/4885GRIN3B 729/4885

“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.