SCHEMBL870949

SCHEMBL870949

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Nc2cccc(OCCN3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
SYK P43405 2/20 0.47
BTK Q06187 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
EPHX2 P34913 10/20 0.45
ITK Q08881 2/20 0.45
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
PPARG P37231 1/20 0.42
MAPK14 Q16539 1/20 0.42
PDE4B Q07343 1/20 0.41

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
SCHEMBL870950 1.00 EGFR (0.47) EGFRSYKBTKHTR1ADRD2
SCHEMBL3018688 0.89 SYK (0.53) EGFRSYKBTKHTR1ADRD2
SCHEMBL3018694 0.89 SYK (0.53) EGFRSYKBTKHTR1ADRD2
SCHEMBL10272050 0.88 EGFR (0.49) EGFRSYKBTKHTR1ADRD2
SCHEMBL872011 0.87 EGFR (0.53) EGFRSYKBTKHTR1ADRD2
SCHEMBL872012 0.87 EGFR (0.53) EGFRSYKBTKHTR1ADRD2
SCHEMBL872091 0.81 PDE4B (0.57) EGFRSYKBTKHTR1ADRD2
SCHEMBL872090 0.81 PDE4B (0.57) EGFRSYKBTKHTR1ADRD2
SCHEMBL870944 0.81 EGFR (0.60) EGFRSYKBTKEPHX2ITK
SCHEMBL871041 0.80 EGFR (0.39) EGFRSYKBTKITKPDE4D

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B EGFR 4713/4885SYK 1568/4885BTK 1387/4885

“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.