SCHEMBL391968

SCHEMBL391968

CC(C)(C)COC(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.53
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 5/20 0.49
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A7 Q99884 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL10849115 0.85 GAA (0.56) CYP3A4LMNASMN1; SMN2KDM4ESLC6A7
SCHEMBL390463 0.84 GPR119 (0.57) GPR119CYP3A4LMNASMN1; SMN2HSD17B10
SCHEMBL391931 0.82 TRPV1 (0.51) POLBALDH1A1
SCHEMBL12964579 0.81 GPR119 (0.77) GPR119CYP3A4LMNASMN1; SMN2HSD17B10
SCHEMBL389965 0.81 ALDH1A1 (0.64) LMNASMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL386614 0.79 HRH3 (0.51) LMNASMN1; SMN2HSD17B10SLC6A7ALDH1A1
SCHEMBL2755876 0.79 CYP3A4 (0.75) GPR119CYP3A4LMNAHSD17B10KDM4E
SCHEMBL392458 0.78 KDM4E (0.56) LMNASMN1; SMN2HSD17B10KDM4EPPARG
SCHEMBL387764 0.78 GPR119 (0.58) GPR119LMNASMN1; SMN2KDM4EHPGD
SCHEMBL390651 0.77 NOS1 (0.49) LMNASMN1; SMN2HSD17B10KDM4EPOLB

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-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C GPR119 137/4885CYP3A4 2605/4885LMNA 4724/4885

“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.