SCHEMBL29065779

SCHEMBL29065779

CC(C)(C)OC(=O)NC1CC2(CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
LMNA P02545 6/20 0.48
DRD2 P14416 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2D6 P10635 1/20 0.42
WDR5 P61964 1/20 0.42

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
SCHEMBL29399590 0.92 ALDH1A1 (0.49) ALDH1A1LMNADRD2MAPTSMN1; SMN2
SCHEMBL29065776 0.91 ADAM10 (0.50) ALDH1A1LMNADRD2FFAR4MAPT
SCHEMBL29065775 0.90 MAPT (0.47) ALDH1A1LMNADRD2MAPTSMN1; SMN2
SCHEMBL29397041 0.89 DRD2 (0.45) ALDH1A1LMNADRD2FFAR4MAPT
SCHEMBL13419583 0.88 ALDH1A1 (0.58) ALDH1A1LMNADRD2MAPTSMN1; SMN2
SCHEMBL29399554 0.87 MAPT (0.56) ALDH1A1LMNADRD2MAPTSMN1; SMN2
SCHEMBL29400399 0.85 FFAR4 (0.57) ALDH1A1LMNAFFAR4MAPTSMN1; SMN2
SCHEMBL22246076 0.85 ALDH1A1 (0.43) ALDH1A1DRD2MAPTSMN1; SMN2GAA
SCHEMBL29783035 0.82 MAPT (0.42) ALDH1A1LMNADRD2MAPTSMN1; SMN2
SCHEMBL28645572 0.82 ADAM10 (0.47) ALDH1A1LMNADRD2MAPTSMN1; 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
CN-113302196-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2023-08-04 CN disclosed
US-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-03-03 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-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof EGFR, ERBB2, ERBB3 ALDH1A1 3755/4885LMNA 3691/4885DRD2 4876/4885

“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.