SCHEMBL3859830

SCHEMBL3859830

CC(=O)CC(=O)C1(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.30

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
SCHEMBL22175253 0.90 ALDH1A1 (0.42) FFAR3MGAMGAASIMGAM2
SCHEMBL17741696 0.84 FFAR3 (0.31) FFAR3MGAMGAASIMGAM2
SCHEMBL6707961 0.79 FFAR3 (0.50) FFAR3
SCHEMBL13290232 0.76
SCHEMBL3531364 0.75 MGAM (0.44) FFAR3MGAMGAASIMGAM2
SCHEMBL8025488 0.72
SCHEMBL20567525 0.72
SCHEMBL31648396 0.72 PLOD2 (0.37) FFAR3ALDH1A1SMN1; SMN2
SCHEMBL1143457 0.70
SCHEMBL3938627 0.69 MGAM (0.32) MGAMGAASIMGAM2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2019-03-26 US disclosed
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2018-10-04 US disclosed
EP-3215508-A1 SUBSTITUTED 5-METHYL-[1, 2, 4]TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP disclosed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO disclosed
WO-2016073424-A1 SUBSTITUTED 5-METHYL-[1, 2, 4] TRIAZOLO [1,5-A) PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO disclosed
US-20110112090-A1 Depsipeptides and Their Therapeutic Use KARUS THERAPEUTICS LIMITED (GB) 2011-05-12 US disclosed
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US disclosed
CN-101511350-A Dioxo-alkanes and dioxo-alkenes PHYTOPHARM PLC (GB) 2009-08-19 CN disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US 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 (4 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-10239882-B2 Substituted 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine compounds as PDE2 inhibitors PDE12, PDE2A, PDE3A FFAR3 2129/4885MGAM 4203/4885GAA 1046/4885
US-20180282338-A1 SUBSTITUTED 5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE3A FFAR3 2129/4885MGAM 4203/4885GAA 1046/4885
US-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 FFAR3 795/4885MGAM 4504/4885GAA 3884/4885
US-20110112090-A1 Depsipeptides and Their Therapeutic Use PRLHR, OPRD1, NPR3 FFAR3 197/4885MGAM 4326/4885GAA 4705/4885

“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.