SCHEMBL2219064

SCHEMBL2219064

COC(=O)C1CN(C(C)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
PDK2 Q15119 1/20 0.34
PEPD P12955 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2222066 0.79 MAPT (0.39) MAPTPOLB
SCHEMBL9963113 0.79 BRD4 (0.44) BRD4SMN1; SMN2TP53ALDH1A1CHRNB2
SCHEMBL16253347 0.70
SCHEMBL10232853 0.69 TP53 (0.47) BRD4SMN1; SMN2TP53ALDH1A1POLB
SCHEMBL16219021 0.68 CHRNB2 (0.50) BRD4SMN1; SMN2TP53ALDH1A1CHRNB2
SCHEMBL9965973 0.68
SCHEMBL28957852 0.68
SCHEMBL15998913 0.67 ATM (0.47) BRD4SMN1; SMN2TP53ALDH1A1CHRNB2
SCHEMBL9682596 0.67 CYP2D6 (0.49) ALDH1A1MAPT
SCHEMBL513076 0.67 HRH3 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 BRD4 880/4885SMN1; SMN2 3605/4885TP53 190/4885

“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.