SCHEMBL23334402

SCHEMBL23334402

CN1CCC(N2CCN(CC(C)(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
NCF1 P14598 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ACHE P22303 1/20 0.32
TRPV6 Q9H1D0 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM1 P11309 1/20 0.31
MAPT P10636 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
SCHEMBL22304541 0.88 TRPV6 (0.37) ALDH1A1KDM4ETRPV6KMT2A
SCHEMBL18177837 0.84 SIGMAR1 (0.41) ALDH1A1KDM4EKMT2A
SCHEMBL15696998 0.84 SIGMAR1 (0.38) ALDH1A1KDM4ETRPV6KMT2A
SCHEMBL24802214 0.83 ALDH1A1 (0.33) ALDH1A1L3MBTL1L3MBTL3ACHEDRD2
SCHEMBL13713265 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1L3MBTL3NCF1KDM4E
SCHEMBL24453215 0.83 SIGMAR1 (0.31) TRPV6KMT2A
SCHEMBL18026602 0.82 SIGMAR1 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL14354978 0.82 SIGMAR1 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL12772414 0.80 HRH3 (0.42) ALDH1A1L3MBTL1L3MBTL3KDM4EHRH3
SCHEMBL18032442 0.80 HRH3 (0.39) ALDH1A1L3MBTL1L3MBTL3HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 US disclosed
US-20210130345-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 US 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-20210130345-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEREOF CDK6, CDK4, CDK3 ALDH1A1 1568/4885L3MBTL1 1107/4885L3MBTL3 1181/4885
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof CDK6, CDK4, CDK3 ALDH1A1 1568/4885L3MBTL1 1107/4885L3MBTL3 1181/4885

“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.