SCHEMBL92629

SCHEMBL92629

C[C@@H]1CNC[C@H](C)N1CCF

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 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
Hydrochloric Acid SCHEMBL34473882 0.98
SCHEMBL4463519 0.81 ALOX15 (0.31) FUCA1
SCHEMBL2928744 0.78 FUCA1 (0.31) FUCA1
SCHEMBL24812981 0.78 FUCA1 (0.31) FUCA1
SCHEMBL2928741 0.78 FUCA1 (0.31) FUCA1
SCHEMBL18580080 0.76 GBA1 (0.37) FUCA1
SCHEMBL11608191 0.76 GBA1 (0.37) FUCA1
Hydrochloric Acid SCHEMBL6956702 0.74 GBA1 (0.35) FUCA1
SCHEMBL22113128 0.74
SCHEMBL3105701 0.74 MGAM (0.41)

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-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 FUCA1 49/4885

“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.