SCHEMBL6701098

SCHEMBL6701098

N#Cc1ccc(N2CCC(N)(c3ccccc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.48
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTPN11 Q06124 1/20 0.42
DPP4 P27487 1/20 0.42
CHRM4 P08173 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR39 O43194 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SCD O00767 1/20 0.41
PANK3 Q9H999 1/20 0.41

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
SCHEMBL647552 0.81 PTPN11 (0.60) SMOJAK2JAK3PTPN11DPP4
SCHEMBL31442688 0.77 SMO (0.57) SMOGPR119KDM4EALDH1A1L3MBTL1
SCHEMBL6700947 0.77 PTPN11 (0.48) SMOPTPN11DPP4GPR119KDM4E
SCHEMBL14844043 0.75 SMO (0.56) SMOGPR119KDM4EALDH1A1L3MBTL1
SCHEMBL3048925 0.75 KDM4E (0.54) SMOGPR119KDM4EALDH1A1L3MBTL1
SCHEMBL29514660 0.75 KDM4E (0.54) SMOGPR119KDM4EALDH1A1L3MBTL1
SCHEMBL21521374 0.74 HRH3 (0.48) SMOJAK2GPR119KDM4EALDH1A1
SCHEMBL16438702 0.74 USP2 (0.57) SMOJAK2GPR119KDM4EALDH1A1
SCHEMBL10611549 0.74 HTR7 (0.44) SMODPP4GPR119KDM4EALDH1A1
SCHEMBL22754618 0.74 JAK2 (0.49) SMOJAK2JAK3DPP4GPR119

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 SMO 3739/4885OPRM1 2484/4885OPRL1 1300/4885

“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.