SCHEMBL4556153

SCHEMBL4556153

OCc1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CACNA1H O95180 2/20 0.43
KDM4E B2RXH2 1/20 0.42
IDO1 P14902 1/20 0.42
DGAT1 O75907 2/20 0.40
KCNH2 Q12809 2/20 0.40
NPBWR1 P48145 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
MAOB P27338 1/20 0.39
KIF11 P52732 1/20 0.39
METAP2 P50579 1/20 0.39
F9 P00740 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
BRS3 P32247 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL9597974 0.88 PDE10A (0.47) PDE10ACACNA1HKDM4EIDO1DGAT1
SCHEMBL5681369 0.85 RAD52 (0.51) TDP1PDE10ACACNA1HKDM4EIDO1
SCHEMBL10284701 0.84 DDAH1 (0.53) PDE10ACACNA1HKDM4EIDO1NPBWR1
SCHEMBL10183575 0.84 SCN10A (0.48) TDP1NPSR1PDE10AKCNH2KIF11
SCHEMBL38661777 0.84 CACNA1H (0.62) PDE10ACACNA1HKDM4EIDO1DGAT1
SCHEMBL367831 0.84 IDO1 (0.45) PDE10ACACNA1HKDM4EIDO1DGAT1
SCHEMBL9281215 0.84 RAD52 (0.47) TDP1PDE10ACACNA1HKDM4ENTRK1
SCHEMBL3372786 0.82 MAOB (0.46) PDE10ACACNA1HKDM4EIDO1KCNH2
SCHEMBL10896019 0.82 IDO1 (0.42) PDE10ACACNA1HKDM4EIDO1DGAT1
SCHEMBL5681326 0.81 CACNA1H (0.56) TDP1PDE10ACACNA1HKDM4EIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TDP1 1725/4885NPSR1 170/4885PDE10A 1208/4885

“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.