SCHEMBL21428541

SCHEMBL21428541

CCN1CCN(/N=C/C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.31
CHRNA7 P36544 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6961595 0.76 RAB9A (0.42) MAPK1ALDH1A1MAPTTDP1KDM4E
SCHEMBL22485142 0.76 CHRNA7 (0.33) MAPK1ALDH1A1MAPTTDP1KDM4E
SCHEMBL6151146 0.75 KDM4E (0.35) MAPK1ALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL6151148 0.75 KDM4E (0.35) MAPK1ALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL22482237 0.74 SMN1; SMN2 (0.32) MAPK1ALDH1A1MAPTKDM4ECHRNA7
Hydrochloric Acid SCHEMBL7451527 0.73 KDM4E (0.34) MAPK1ALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL6962187 0.73 RAB9A (0.38) MAPK1ALDH1A1TDP1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7451532 0.73 KDM4E (0.34) MAPK1ALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL21428536 0.71 SIGMAR1 (0.30)
SCHEMBL21428543 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2021-01-28 US disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
WO-2019191189-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2019-10-03 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-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 MAPK1 512/4885ALDH1A1 4464/4885MAPT 237/4885
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 MAPK1 512/4885ALDH1A1 4464/4885MAPT 237/4885

“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.