SCHEMBL19631927

SCHEMBL19631927

CC(=O)NC1CCN(S)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
KDM5A P29375 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
AKT1 P31749 1/20 0.38
EPHX2 P34913 4/20 0.37
EPHX1 P07099 1/20 0.37
LTA4H P09960 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
CTSK P43235 2/20 0.34

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
SCHEMBL21452685 0.88 ATM (0.44) CA1CA2CA12CA9ATM
SCHEMBL799005 0.78 CA1 (0.47) CA1CA2CA12CA9ATM
SCHEMBL8320694 0.78 CA1 (0.47) CA1CA2CA12CA9ATM
SCHEMBL5961771 0.78 CA1 (0.47) CA1CA2CA12CA9ATM
SCHEMBL18123344 0.76 CA1 (0.46) CA1CA2CA12CA9ATM
SCHEMBL13654467 0.76 CA1 (0.46) CA1CA2CA12CA9ATM
SCHEMBL9640396 0.76 CA1 (0.54) CA1CA2CA12CA9ATM
SCHEMBL17037034 0.76 CA1 (0.54) CA1CA2CA12CA9ATM
SCHEMBL1705988 0.76 CA1 (0.46) CA1CA2CA12CA9ATM
SCHEMBL13382861 0.76 CA1 (0.46) CA1CA2CA12CA9ATM

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-9994537-B2 Piperazine carbamates and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-06-12 US disclosed
US-20170334874-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-23 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-20170334874-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABHD6, RABL6, ABHD16A CA1 2848/4885CA2 2255/4885CA12 3964/4885

“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.