SCHEMBL388445

SCHEMBL388445

CC(C)(C)CCC(=O)N1CCN(c2cc(-c3noc(CCO)n3)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 9/20 0.47
HTT P42858 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SMO Q99835 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL391824 0.93 MAPT (0.45) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL390566 0.88 MAPT (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL389151 0.87 SMO (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL389753 0.86 SMO (0.45) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL386274 0.85 HDAC6 (0.47) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL390053 0.84 KCNT1 (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL390606 0.84 SMO (0.42) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL390503 0.84 SMO (0.42) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL391088 0.84 KCNT1 (0.46) LMNAHPGDMAPTHTTSMN1; SMN2
SCHEMBL390287 0.84 HDAC6 (0.46) LMNAHPGDMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US claimed
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-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 LMNA 4724/4885HPGD 2246/4885MAPT 3502/4885

“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.