SCHEMBL18110415

SCHEMBL18110415

CN[C@H](C(=O)O)[C@H](O)[C@H](C)CCCc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PSMB5 P28074 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
VNN1 O95497 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PSMB1 P20618 2/20 0.32
PSMB2 P49721 2/20 0.32
CYP1A2 P05177 1/20 0.31
NLRP3 Q96P20 1/20 0.31
LONP1 P36776 3/20 0.31
PSMB11 A5LHX3 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 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
SCHEMBL18110340 0.83 CYP1A2 (0.45) LMNASMN1; SMN2ALDH1A1CYP1A2HTT
SCHEMBL18112891 0.80 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2HTT
SCHEMBL18110380 0.80 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2HTT
SCHEMBL18110384 0.80 HTR2A (0.34)
SCHEMBL18110429 0.80 TBXAS1 (0.48) LMNAKDM4E
SCHEMBL18110395 0.80 TBXAS1 (0.48) LMNAKDM4E
SCHEMBL18110372 0.80 CYP1A2 (0.44) LMNASMN1; SMN2ALDH1A1CYP1A2HTT
SCHEMBL18110393 0.79 MAPK1 (0.38) LMNASMN1; SMN2ALDH1A1
SCHEMBL18110392 0.77 FNTA (0.36) LMNA
SCHEMBL18110355 0.77 CYP1A2 (0.42) SMN1; SMN2VNN1CYP1A2

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
US-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings ALLERGAN, INC. (US) 2018-09-18 US disclosed
EP-3277704-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2018-02-07 EP disclosed
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 (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-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings CHP1, UACA, CRYAB LMNA 3810/4885PSMB5 765/4885SMN1; SMN2 4703/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB LMNA 3810/4885PSMB5 765/4885SMN1; SMN2 4703/4885

“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.