SCHEMBL18110355

SCHEMBL18110355

CN[C@H](C(=O)O)[C@H](O)[C@H](C)CCCc1cccnn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.34
VNN1 O95497 1/20 0.34
CYP2C9 P11712 1/20 0.32
NAMPT P43490 1/20 0.32
P2RX7 Q99572 1/20 0.31
CES1 P23141 1/20 0.31
MAPK1 P28482 1/20 0.30
PTPRA P18433 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA2 P00918 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
SCHEMBL18110340 0.84 CYP1A2 (0.45) CYP1A2PTPRACYP2D6MAPTTSHR
SCHEMBL18110372 0.81 CYP1A2 (0.44) CYP1A2PTPRACYP2D6MAPTTSHR
SCHEMBL18112891 0.79 SMN1; SMN2 (0.33) CYP1A2PTPRACYP2D6MAPTTSHR
SCHEMBL18110380 0.79 SMN1; SMN2 (0.33) CYP1A2PTPRACYP2D6MAPTTSHR
SCHEMBL18110395 0.79 TBXAS1 (0.48)
SCHEMBL18110429 0.79 TBXAS1 (0.48)
SCHEMBL18110393 0.78 MAPK1 (0.38) MAPK1MAPTTSHRSMN1; SMN2
SCHEMBL18110415 0.77 LMNA (0.35) CYP1A2VNN1SMN1; SMN2
SCHEMBL18110404 0.77 PTPRA (0.47) CYP1A2PTPRACYP2D6MAPTTSHR
SCHEMBL18110361 0.76 EPHX2 (0.34) NAMPTSMN1; SMN2

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 CYP1A2 1072/4885CTDSP1 4592/4885VNN1 2340/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB CYP1A2 1072/4885CTDSP1 4592/4885VNN1 2340/4885

“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.