SCHEMBL3522643

SCHEMBL3522643

O=C(NCC1CCN(OC(=O)C(F)(F)F)CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
SSTR4 P31391 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
MLYCD O95822 1/20 0.35
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4007514 0.86 CACNA1H (0.38) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL9431190 0.79 TDP1 (0.52) CKS1BSKP1SKP2EPHX1ALDH1A1
SCHEMBL3529302 0.78 MGLL (0.36) EPHX1EPHX2KCNH2SIRT2SIRT1
SCHEMBL13549321 0.78 EPHX1 (0.59) CKS1BSKP1SKP2EPHX1EPHX2
SCHEMBL6403172 0.77 KDM4E (0.60) EPHX1KDM4EPKMSMN1; SMN2GNRHR
SCHEMBL4014367 0.76 SIRT2 (0.40) ALDH1A1NQO2MTNR1AMTNR1BACHE
SCHEMBL3383177 0.76 HDAC6 (0.49) CKS1BSKP1SKP2EPHX1ALDH1A1
SCHEMBL3381027 0.76 HDAC6 (0.53) CKS1BSKP1SKP2EPHX1ALDH1A1
SCHEMBL3379859 0.74 HDAC6 (0.55) EPHX1ALDH1A1POLBSMN1; SMN2HDAC6
SCHEMBL5560105 0.74 ENPP2 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645774-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-12 US disclosed
US-7071213-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2006-07-04 US disclosed
US-20050282861-A1 Cannabinoid receptor ligands MERCK SHARP & DOHME CORP. 2005-12-22 US disclosed
EP-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
US-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases SCHERING CORPORATION 2004-01-15 US disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 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 (2 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-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases IL5, IL2, TLR1 CKS1B 4151/4885SKP1 1328/4885SKP2 2085/4885
US-20050282861-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 CKS1B 1968/4885SKP1 3795/4885SKP2 4356/4885

“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.