SCHEMBL389151

SCHEMBL389151

Cc1nc(-c2ccnc(N3CCN(C(=O)CCC(C)(C)C)CC3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.46
MAPK14 Q16539 1/20 0.45
DGAT1 O75907 1/20 0.44
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNT1 Q5JUK3 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL389753 0.89 SMO (0.45) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL391824 0.89 MAPT (0.45) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL386274 0.89 HDAC6 (0.47) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL390287 0.88 HDAC6 (0.46) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL390053 0.88 KCNT1 (0.46) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL390606 0.88 SMO (0.42) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL390503 0.88 SMO (0.42) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL391088 0.88 KCNT1 (0.46) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL388444 0.88 KCNT1 (0.46) SMOMAPTLMNAPOLBSMN1; SMN2
SCHEMBL388445 0.87 LMNA (0.48) SMOMAPTLMNAPOLBSMN1; 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 10 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-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 SMO 2042/4885MAPK14 3054/4885DGAT1 1884/4885

“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.