SCHEMBL4386758

SCHEMBL4386758

CC(C)(C)OC(=O)N1CCC(N2CCNC2=C(C#N)C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
FPR2 P25090 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL2545400 0.81 KDM4E (0.50) GPR119TP53KDM4EMAPTTHRB
SCHEMBL8667894 0.78 TP53 (0.52) GPR119TP53KDM4EMAPTTHRB
SCHEMBL17977217 0.74 KDM4E (0.48) GPR119TP53KDM4EMAPTTHRB
SCHEMBL2548432 0.74 KDM4E (0.48) GPR119TP53KDM4EMAPTTHRB
SCHEMBL18124095 0.74 KDM4E (0.48) GPR119TP53KDM4EMAPTTHRB
SCHEMBL22605710 0.73 MAPK1 (0.57) GPR119TP53KDM4EMAPTTHRB
SCHEMBL25214672 0.73 KDM4E (0.47) GPR119TP53KDM4EMAPTTHRB
SCHEMBL1902496 0.70 KDM4E (0.47) GPR119TP53KDM4EMAPTTHRB
SCHEMBL8667981 0.70 KDM4E (0.47) GPR119TP53KDM4EMAPTTHRB
SCHEMBL311155 0.70 HPGD (0.55) GPR119KDM4EMAPTTHRBHPGD

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 GPR119 1988/4885TP53 2329/4885KDM4E 418/4885

“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.