SCHEMBL15538211

SCHEMBL15538211

C[Si](C)(C)C#Cc1cccc(N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
TRPV3 Q8NET8 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL31014770 0.79 CYP11B1 (0.39) PDE10AKDM4EKMT2A
SCHEMBL21730194 0.77 CTSS (0.46) PDE10AKDM4EL3MBTL1KMT2ACNR1
SCHEMBL29907703 0.77 CTSS (0.46) PDE10AKDM4EL3MBTL1KMT2ACNR1
SCHEMBL15539388 0.77 PDE10A (0.41) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL2949577 0.76 CTSS (0.45) PDE10AKDM4EL3MBTL1HSD11B1CNR1
SCHEMBL2714682 0.76 HPGD (0.41) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL15918558 0.75 HTR3E (0.50) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL6861227 0.75 GRM5 (0.42) KDM4EKMT2A
SCHEMBL21730383 0.74 CTSS (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6838679 0.73 HSD11B1 (0.50) PDE10AHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854804-B1 PYRROLIDINO HETEROCYCLES HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
CN-104363908-B pyrrolidinyl heterocyclic 霍夫曼-拉罗奇有限公司 2017-12-22 CN disclosed
US-9540384-B2 Pyrrolidino heterocycles HOFFMANN-LA ROCHE, INC. (US) 2017-01-10 US disclosed
EP-2854804-A1 PYRROLIDINO HETEROCYCLES F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
US-20150087644-A1 PYRROLIDINO HETEROCYCLES HOFFMANN-LA ROCHE INC. (US) 2015-03-26 US disclosed
CN-104363908-A Pyrrolidino heterocycles HOFFMANN LA ROCHE 2015-02-18 CN disclosed
WO-2013178569-A1 PYRROLIDINO HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 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-20150087644-A1 PYRROLIDINO HETEROCYCLES PDE3A, PDE3B, PDE2A PDE10A 5/4885HTR3E 2232/4885HTR3B 1255/4885

“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.