SCHEMBL4064875

SCHEMBL4064875

C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CCCC3)cnc1C=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.32
DGAT1 O75907 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 3/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ADCY1 Q08828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4065268 0.80 TDP1 (0.44) DGAT1MAPTKDM4ETDP1
SCHEMBL4065251 0.80 TDP1 (0.40) F11DGAT1NPC1MAPTKDM4E
SCHEMBL4068100 0.80 FYN (0.40) MAPTKDM4ETDP1
SCHEMBL4064489 0.76 ALDH1A1 (0.38) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL4065353 0.74 CYP11B1 (0.37) DGAT1CYP11B1CYP11B2NPC1MAPT
SCHEMBL25586533 0.74 DGAT1 (0.36) DGAT1NPC1MAPT
SCHEMBL27596081 0.74 FYN (0.37) NPC1RAB9AKDM4ETDP1
SCHEMBL9958624 0.71 NPC1 (0.33) DGAT1NPC1MAPT
SCHEMBL4065179 0.71 EGFR (0.32) DGAT1NPC1
SCHEMBL27596318 0.71 DGAT1 (0.32) DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F11 3020/4885DGAT1 2719/4885CYP11B1 711/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 F11 2962/4885DGAT1 3612/4885CYP11B1 1034/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 F11 3020/4885DGAT1 2719/4885CYP11B1 711/4885

“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.