SCHEMBL21594064

SCHEMBL21594064

Cc1nc2c[n+](Cc3ccccc3)ccc2nc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
GBA1 P04062 2/20 0.44
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
SLC2A1 P11166 1/20 0.42
KIT P10721 1/20 0.41
PRMT5 O14744 1/20 0.41
PTPN11 Q06124 1/20 0.41
PIK3CA P42336 1/20 0.40
STS P08842 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMO Q99835 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL30570605 1.00 ACHE (0.48) ACHEGBA1TLR9TLR7OPRM1
Bromide SCHEMBL21591600 0.99 ACHE (0.47) ACHEGBA1TLR9TLR7OPRM1
Bromide SCHEMBL25391224 0.88 ACHE (0.45) ACHEGBA1TLR9TLR7OPRM1
Bromide SCHEMBL21591734 0.86 HRH4 (0.43) SMOHRH4
SCHEMBL28510100 0.85 HRH4 (0.43) SMOHRH4
SCHEMBL28518098 0.83 CKS1B (0.56) ACHEGBA1TLR9TLR7CKS1B
SCHEMBL24951551 0.83 GBA1 (0.56) ACHEGBA1OPRM1OPRD1OGFRL1
SCHEMBL30819461 0.83 GBA1 (0.56) ACHEGBA1OPRM1OPRD1OGFRL1
Bromide SCHEMBL23854735 0.83 CKS1B (0.56) ACHEGBA1TLR9TLR7CKS1B
SCHEMBL31066732 0.75 POLB (0.41) HRH4

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-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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 (2 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 ACHE 3309/4885GBA1 40/4885TLR9 1384/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 ACHE 3666/4885GBA1 35/4885TLR9 1479/4885

“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.