SCHEMBL5779484

SCHEMBL5779484

CC(C)(C)OC(=O)NC(CO)(CO)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
AAK1 Q2M2I8 1/20 0.37
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL8500364 0.82 FDPS (0.45) FDPSSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8292151 0.79 CA12 (0.49) CYP1A2L3MBTL1KMT2AALDH1A1SYK
SCHEMBL5779127 0.79 PTPRB (0.49) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL4678395 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL29611056 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL30903939 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP1A2L3MBTL1
SCHEMBL16255974 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP1A2L3MBTL1
SCHEMBL30992257 0.75 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL4424813 0.74 MEN1 (0.52) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL29883532 0.74 CA1 (0.44) SMN1; SMN2NPC1RAB9ALMNACYP1A2

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
US-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R FDPS 2502/4885SMN1; SMN2 3375/4885NPC1 2467/4885

“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.