SCHEMBL18123727

SCHEMBL18123727

C[C@H](CC=Cc1cccnc1)[C@H](CC(N)=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
TBXAS1 P24557 1/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
JUN P05412 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18127442 0.79 CHRNB2 (0.53) CHRNB2CHRNA4TBXAS1RAB9AKDM4E
SCHEMBL18110416 0.77 CHRNB2 (0.50) CHRNB2CHRNA4TBXAS1RAB9AKDM4E
SCHEMBL17518273 0.76 CTSK (0.31)
SCHEMBL17920200 0.76 CTSK (0.31)
SCHEMBL20029172 0.73
SCHEMBL17518246 0.73
SCHEMBL8668533 0.73 CHRNB2 (0.41) CHRNB2CHRNA4TBXAS1RAB9AKDM4E
SCHEMBL17920196 0.72
SCHEMBL3017778 0.70 CHRNB2 (0.68) CHRNB2CHRNA4TBXAS1RAB9AKDM4E
SCHEMBL617909 0.70 CHRNB2 (0.68) CHRNB2CHRNA4TBXAS1RAB9AKDM4E

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
WO-2016160362-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2016-10-06 WO disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 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-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB CHRNB2 2380/4885CHRNA4 3955/4885TBXAS1 1038/4885

“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.