SCHEMBL3699376

SCHEMBL3699376

C[Si](C)(C)CCOC(=O)N1CCC(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CHRM1 P11229 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6062450 0.85 GAA (0.42) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL30750528 0.84 GAA (0.38) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL6063785 0.84 GAA (0.41) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL31171230 0.84 GAA (0.41) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL31171227 0.84 GAA (0.41) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL24378718 0.83 SMN1; SMN2 (0.51) GAASMN1; SMN2LMNAPOLBCHRM1
SCHEMBL29012393 0.83 DPP4 (0.39) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL6062384 0.83 GAA (0.41) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL13113407 0.83 GAA (0.44) GAANOS2NOS3SMN1; SMN2LMNA
SCHEMBL14275779 0.81 GAA (0.53) GAANOS2NOS3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C GAA 1855/4885NOS2 3614/4885NOS3 3968/4885

“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.