SCHEMBL21847657

SCHEMBL21847657

CN1CCC(n2ccc(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.42
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
NCF1 P14598 1/20 0.35
TLR8 Q9NR97 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
AXL P30530 1/20 0.33
NUDT14 O95848 1/20 0.33
BTK Q06187 1/20 0.33
NUDT5 Q9UKK9 1/20 0.33
EGFR P00533 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL188262 0.85
SCHEMBL5800638 0.82 GAA (0.40) GAASMN1; SMN2ALOX15TLR8SIGMAR1
SCHEMBL3432373 0.81 SIGMAR1 (0.39) SMN1; SMN2SIGMAR1BTK
SCHEMBL3246939 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL17001832 0.80 GAA (0.41) GAASMN1; SMN2ALOX15TLR8SIGMAR1
SCHEMBL18007582 0.79 SIGMAR1 (0.41) GAASMN1; SMN2SIGMAR1
SCHEMBL20759756 0.79 BACE1 (0.43)
SCHEMBL28641562 0.78 KEAP1 (0.54) GAASMN1; SMN2ALOX15NUDT14BTK
SCHEMBL24884253 0.77 MAP3K12 (0.34) SIGMAR1
SCHEMBL23066503 0.77 EPHX2 (0.36) GAABTKL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed
US-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 GAA 4838/4885SMN1; SMN2 4806/4885ALOX15 3016/4885

“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.