SCHEMBL23424596

SCHEMBL23424596

CN1CCN(COC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MC4R P32245 1/20 0.33
PAOX Q6QHF9 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
USP2 O75604 1/20 0.30
HPGD P15428 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
SCHEMBL25453017 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EMAPT
SCHEMBL25453013 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EMAPT
SCHEMBL12932707 0.80 HTT (0.34) ALDH1A1KDM4ELMNAHTT
SCHEMBL27027500 0.79
SCHEMBL823889 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPAOXUSP2
SCHEMBL20314459 0.79
SCHEMBL4951889 0.78 HRH3 (0.35) ALDH1A1KDM4EHTT
SCHEMBL14032178 0.78 HRH3 (0.35) ALDH1A1KDM4EHTT
SCHEMBL13801830 0.76 SMN1; SMN2 (0.39) ALDH1A1KDM4EUSP2
SCHEMBL10192131 0.76 HRH3 (0.42) ALDH1A1KDM4EPAOXUSP2HPGD

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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 2980/4885KDM4E 4077/4885MAPT 2970/4885

“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.