SCHEMBL683197

SCHEMBL683197

COC(=O)Cc1nc(N)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TLR8 Q9NR97 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
F2 P00734 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE8B O95263 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 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
SCHEMBL877929 0.81 HSD17B10 (0.38) HSD17B10HTTKDM4EALDH1A1USP2
SCHEMBL1167967 0.67 MAPT (0.50) KDM4EALDH1A1GAAJAK2JAK1
SCHEMBL23165019 0.64 SCN3A (0.41) KDM4EHSP90AA1HSP90AB1
SCHEMBL161429 0.64 FAAH (0.39) FAAHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL18764658 0.63 L3MBTL1 (0.46) HSD17B10KDM4EALDH1A1GAACYP1A2
SCHEMBL4358478 0.63 FAAH (0.59) FAAHHTTUSP2CYP1A2PDE8B
SCHEMBL27244288 0.63 FAAH (0.35) FAAHHSD17B10KDM4EALDH1A1GAA
SCHEMBL4038261 0.63 NR1H2 (0.36) FAAHHSD17B10KDM4EALDH1A1RET
SCHEMBL17055211 0.62 HSD17B10 (0.43) HSD17B10HTTKDM4EALDH1A1GAA
SCHEMBL19010764 0.62 FAAH (0.38) FAAHMEN1KMT2ARETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D FAAH 2070/4885HSD17B10 2919/4885HTT 3854/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D FAAH 2070/4885HSD17B10 2919/4885HTT 3854/4885

“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.