SCHEMBL16272002

SCHEMBL16272002

CC(C)(C)OC(=O)N1CCC=C(c2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.53
GRM5 P41594 4/20 0.53
GPR119 Q8TDV5 2/20 0.53
GBA1 P04062 1/20 0.52
KIT P10721 1/20 0.49
KDM1A O60341 1/20 0.45
NAMPT P43490 2/20 0.44
POLB P06746 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL30269885 0.89 GPR119 (0.51) GRM1GRM5GPR119GBA1KIT
SCHEMBL28369668 0.89 GPR119 (0.51) GRM1GRM5GPR119GBA1KIT
SCHEMBL4486545 0.89 GRM1 (0.65) GRM1GRM5GPR119GBA1NAMPT
SCHEMBL29774060 0.89 GRM1 (0.65) GRM1GRM5GPR119GBA1NAMPT
SCHEMBL17667439 0.81 ALDH1A1 (0.44) NAMPTCYP11B2
SCHEMBL1240331 0.79 GRM5 (0.53) GRM1GRM5KITNAMPTPDK4
SCHEMBL30308750 0.78 GRM5 (0.58) GRM1GRM5GPR119KITNAMPT
SCHEMBL17722891 0.78 GRM5 (0.58) GRM1GRM5GPR119POLBPDK4
SCHEMBL25087234 0.78 GBA1 (0.44) GRM1GRM5GPR119GBA1KIT
SCHEMBL25231247 0.77 GBA1 (0.49) GRM1GRM5GPR119GBA1KIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 EP disclosed
WO-2014192868-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 WO 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-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 GRM1 22/4885GRM5 202/4885GPR119 702/4885

“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.