SCHEMBL20909019

SCHEMBL20909019

COC(=O)[C@@H]1CCCN1C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 2/20 0.36
PEPD P12955 2/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
CASP3 P42574 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL17001850 1.00 FKBP1A (0.44) FKBP1APOLBALDH1A1LTA4HPEPD
SCHEMBL12881541 1.00 FKBP1A (0.44) FKBP1APOLBALDH1A1LTA4HPEPD
SCHEMBL17001902 0.95 FKBP1A (0.43) FKBP1APOLBALDH1A1CASP3SLC6A2
SCHEMBL12881544 0.95 FKBP1A (0.43) FKBP1APOLBALDH1A1CASP3SLC6A2
SCHEMBL17001967 0.94 FKBP1A (0.42) FKBP1APOLBALDH1A1CNR1CNR2
SCHEMBL18477112 0.90 FKBP1A (0.40) FKBP1APOLBALDH1A1SLC6A2SLC6A4
SCHEMBL18477421 0.90 FKBP1A (0.40) FKBP1APOLBALDH1A1SLC6A2SLC6A4
SCHEMBL2913400 0.90 POLB (0.46) FKBP1APOLBPEPDXPNPEP1CNR1
SCHEMBL2913398 0.90 POLB (0.46) FKBP1APOLBPEPDXPNPEP1CNR1
SCHEMBL24434718 0.86 POLB (0.44) FKBP1APOLBALDH1A1CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 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-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 FKBP1A 4218/4885POLB 3277/4885ALDH1A1 1173/4885

“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.