SCHEMBL30066253

SCHEMBL30066253

Brc1cncc(N2CCNCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.81
CHRNA4 P43681 13/20 0.81
CHRNA1 P02708 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50

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
SCHEMBL3067811 1.00 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL3067510 0.93 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL5654646 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL12205345 0.86 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30665753 0.82 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL1980777 0.82 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL2067959 0.82 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
Tert-Butyl Formate SCHEMBL27685267 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL30665760 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL3361367 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 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-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 CHRNB2 4643/4885CHRNA4 4788/4885CHRNA1 3701/4885

“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.