SCHEMBL1235952

SCHEMBL1235952

CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
MCHR1 Q99705 2/20 0.46
BCHE P06276 2/20 0.45
BACE1 P56817 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR3 P51677 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL1804779 1.00 ACHE (0.48) ACHEMCHR1BCHEBACE1SMN1; SMN2
SCHEMBL6855792 0.92 BCHE (0.53) BCHEKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12099306 0.92 ACHE (0.54) ACHEBCHESMN1; SMN2HRH3GAA
SCHEMBL20722666 0.92 SIGMAR1 (0.47) ACHEBCHEHRH3CYP1A2CYP3A4
SCHEMBL740258 0.84 ACHE (0.46) ACHEMCHR1BCHEBACE1SMN1; SMN2
SCHEMBL15710627 0.83 ACHE (0.48) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL15710626 0.83 ACHE (0.48) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL31057220 0.83 LTA4H (0.45) BCHEHRH3GAAKDM4ELTA4H
SCHEMBL30994620 0.81 ACHE (0.43) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL25217562 0.81 FUCA1 (0.38) ACHEMCHR1BCHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
EP-2467380-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-11-30 EP disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-05-22 US disclosed
US-8524702-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
EP-2467380-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed
EP-0562042-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1993-09-29 EP disclosed
US-5137892-A Bactericides ABBOTT LABORATORIES (US) 1992-08-11 US disclosed
WO-1992010191-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1992-06-25 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 (3 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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 ACHE 4645/4885MCHR1 1485/4885BCHE 1673/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 ACHE 4645/4885MCHR1 1485/4885BCHE 1673/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 ACHE 4645/4885MCHR1 1485/4885BCHE 1673/4885

“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.