SCHEMBL3080165

SCHEMBL3080165

C[Si](C)(C)CCC1(N)CCCCC1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3077329 0.71 BTK (0.38)
SCHEMBL3080169 0.69
SCHEMBL16967380 0.69 SLC1A2 (0.43) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL16967377 0.69 SLC1A2 (0.43) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL16967379 0.69 SLC1A2 (0.43) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL31472262 0.69 SLC1A2 (0.43) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL28507194 0.68 GRM4 (0.41) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL20103742 0.68 SLC1A2 (0.41) SLC1A2SLC1A1GRM2GRM3GRM4
SCHEMBL9939044 0.68 SLC1A2 (0.41) SLC1A2SLC1A1GRM2GRM3GRM4
Hydrochloric Acid SCHEMBL19668635 0.67 SLC1A2 (0.42) SLC1A2SLC1A1GRM2GRM3GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 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 (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-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 SLC1A2 646/4885SLC1A1 846/4885GRM2 457/4885

“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.