SCHEMBL25820246

SCHEMBL25820246

CN1CCC(N2CC3(CN(C)C3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCF1 P14598 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
PIM1 P11309 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
SCHEMBL17624466 0.88 SIGMAR1 (0.31)
SCHEMBL24996228 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL3L3MBTL1NCF1CHRM2
SCHEMBL26691458 0.86 MAPK1 (0.33)
SCHEMBL24267446 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL3L3MBTL1NCF1CHRM2
SCHEMBL22565061 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL3L3MBTL1NCF1CHRM2
SCHEMBL22565087 0.83 HRH3 (0.36) ALDH1A1L3MBTL3L3MBTL1NCF1CHRM2
SCHEMBL25561837 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22565120 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL3L3MBTL1
SCHEMBL24266866 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL17260272 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL3L3MBTL1CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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 (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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 ALDH1A1 2690/4885L3MBTL3 3162/4885L3MBTL1 2714/4885

“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.