SCHEMBL2304547

SCHEMBL2304547

CN(C(=O)O)C1CNCC1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.44
FUCA1 P04066 4/20 0.44
GLA P06280 2/20 0.44
GAA P10253 1/20 0.44
GLB1 P16278 1/20 0.44
MAN1B1 Q9UKM7 1/20 0.42

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
SCHEMBL2304538 1.00 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL2304542 1.00 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL27644253 0.83 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL1749165 0.83 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL1749166 0.83 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL1749164 0.83 GBA1 (0.44) GBA1FUCA1GLAGAAGLB1
SCHEMBL4594633 0.79 CTSD (0.33)
SCHEMBL1842034 0.76 CHRNB2 (0.32)
SCHEMBL1842036 0.76 CHRNB2 (0.32)
SCHEMBL1842039 0.76 CHRNB2 (0.32)

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-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 GBA1 3908/4885FUCA1 3371/4885GLA 2017/4885

“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.