SCHEMBL10168032

SCHEMBL10168032

[C-]#[N+]c1ccnc(N2CCN(C(=O)CCC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMO Q99835 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 1/20 0.40
GRM5 P41594 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL391005 0.83 PARP1 (0.54) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL10167993 0.82 HPGD (0.42) HPGDSMN1; SMN2SMONPSR1
SCHEMBL14340758 0.81 HSD17B10 (0.52) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL14340875 0.81 MAPT (0.55) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL388870 0.80 PANK3 (0.53) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL14340959 0.79 ALDH1A1 (0.48) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL14340860 0.78 KDM4E (0.70) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL10168035 0.78 PANK3 (0.45) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL391613 0.77 KDM4E (0.41) HSD17B10KDM4EHPGDCYP3A4CYP2C9
SCHEMBL391614 0.77 KDM4E (0.41) HSD17B10KDM4EHPGDCYP3A4CYP2C9

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 2 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 disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C HSD17B10 2126/4885KDM4E 3756/4885HPGD 2246/4885

“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.