SCHEMBL4083198

SCHEMBL4083198

CC(C)(C)[Si](C)(C)OCc1cccc(N)c1.O=C(O)C1CNC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.41
GRM3 Q14832 4/20 0.41
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
BACE1 P56817 1/20 0.35
BCHE P06276 1/20 0.35
HTR2C P28335 1/20 0.34
HSD11B1 P28845 1/20 0.33
F10 P00742 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TACR1 P25103 2/20 0.33
ROCK2 O75116 1/20 0.32
ACHE P22303 1/20 0.32
SSTR4 P31391 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4095084 0.86 BACE1 (0.35) BACE1HTR2CTACR1
SCHEMBL631424 0.82 MAOB (0.42) ACHEMAOAMAOB
SCHEMBL4083199 0.72 S1PR1 (0.38)
SCHEMBL2852051 0.72 CYP1A2 (0.48)
SCHEMBL5341608 0.72 MRGPRX4 (0.52)
SCHEMBL840465 0.69 GABRA1 (0.45) BACE1ACHE
SCHEMBL2140588 0.69 BACE1 (0.37) BACE1F10TACR1MAOB
SCHEMBL2799997 0.69 SMN1; SMN2 (0.43) MAOB
SCHEMBL501378 0.68 MRGPRX4 (0.41) BACE1MAOB
SCHEMBL4380251 0.68 ENPP2 (0.43) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 GRM2 2868/4885GRM3 3786/4885THRA 3466/4885

“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.