SCHEMBL6700947

SCHEMBL6700947

CCC1(N)CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PANK3 Q9H999 8/20 0.45
GPR119 Q8TDV5 1/20 0.45
DPP4 P27487 1/20 0.45
SMO Q99835 3/20 0.44
HTR7 P34969 1/20 0.43
PARP1 P09874 1/20 0.42
GPR39 O43194 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 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
SCHEMBL647552 0.85 PTPN11 (0.60) PTPN11KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL6701098 0.77 SMO (0.48) PTPN11KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL2828952 0.77 SMO (0.53) KDM4EALDH1A1L3MBTL1PANK3SMO
SCHEMBL29514660 0.76 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL14844043 0.76 SMO (0.56) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL3048925 0.76 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL3592250 0.75 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL12424419 0.75 GPR119 (0.55) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL21521374 0.75 HRH3 (0.48) KDM4EALDH1A1L3MBTL1PANK3GPR119
SCHEMBL10611549 0.75 HTR7 (0.44) KDM4EALDH1A1L3MBTL1PANK3GPR119

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 1064/4885KDM4E 2945/4885ALDH1A1 925/4885

“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.