SCHEMBL21180418

SCHEMBL21180418

CCCOC(=O)c1cnc(N2CCCC23CCN(C(=O)OC(C)(C)C)CC3)nc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
NAMPT P43490 4/20 0.37
GPR119 Q8TDV5 7/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACACB O00763 1/20 0.36
ATM Q13315 1/20 0.36
HDAC1 Q13547 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL17830844 0.92 ATM (0.42) CNR2NAMPTGPR119CNR1MEN1
SCHEMBL21180420 0.87 PKM (0.42) CNR2NAMPTGPR119CNR1HDAC1
SCHEMBL17830843 0.84 GPR119 (0.40) CNR2NAMPTGPR119CNR1MEN1
SCHEMBL12723192 0.74 CYP3A4 (0.48) GPR119MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12480371 0.72 GPR119 (0.56) GPR119ATM
SCHEMBL23108170 0.71 GPR119 (0.51) GPR119ALDH1A1SMN1; SMN2POLB
SCHEMBL28614518 0.71 CYP11B2 (0.51) GPR119NPSR1ACACBATM
SCHEMBL32679621 0.69 ACACB (0.46) GPR119NPSR1ACACBATM
SCHEMBL16644394 0.69 ATM (0.46) NAMPTGPR119MEN1ALDH1A1LMNA
SCHEMBL26832679 0.69 RAB9A (0.46) GPR119MEN1ALDH1A1LMNAKMT2A

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-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-07-23 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-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 CNR2 3412/4885NAMPT 839/4885GPR119 1927/4885

“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.