SCHEMBL1237635

SCHEMBL1237635

CC(C)(C)[Si](C)(C)O[C@@H]1CN(Cc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.45
SIGMAR1 Q99720 2/20 0.42
ACHE P22303 1/20 0.41
THRB P10828 1/20 0.41
MC4R P32245 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GBA1 P04062 1/20 0.39

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
SCHEMBL6765544 1.00 FUCA1 (0.45) FUCA1SIGMAR1ACHETHRBMC4R
SCHEMBL1237636 1.00 FUCA1 (0.45) FUCA1SIGMAR1ACHETHRBMC4R
SCHEMBL3884231 0.90 FUCA1 (0.54) FUCA1THRBS1PR1S1PR5CYP1A2
SCHEMBL3880527 0.90 FUCA1 (0.54) FUCA1THRBS1PR1S1PR5CYP1A2
SCHEMBL3885157 0.90 DPP4 (0.41) FUCA1SIGMAR1ACHETHRBMC4R
SCHEMBL20131397 0.87 GBA1 (0.43) CYP2C19GBA1
SCHEMBL2631789 0.87 GBA1 (0.43) CYP2C19GBA1
SCHEMBL4297275 0.84 HTR4 (0.41) FUCA1S1PR1S1PR5DRD2DRD3
SCHEMBL13631038 0.84 FUCA1 (0.35) FUCA1SIGMAR1ACHETHRBS1PR1
SCHEMBL4297271 0.84 HTR4 (0.41) FUCA1S1PR1S1PR5DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed
CN-107949562-B Positive allosteric modulators of muscarinic M2 receptors 拜耳制药股份公司 2021-07-23 CN disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
EP-3307741-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
EP-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 EP disclosed
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 FUCA1 2371/4885SIGMAR1 479/4885ACHE 4645/4885
US-20110118235-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 FUCA1 2371/4885SIGMAR1 479/4885ACHE 4645/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 FUCA1 2917/4885SIGMAR1 239/4885ACHE 428/4885
US-20140142086-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 FUCA1 2371/4885SIGMAR1 479/4885ACHE 4645/4885

“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.