SCHEMBL389965

SCHEMBL389965

Cc1cc(C)nc(N2CCN(C(=O)OCC(C)(C)C)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 3/20 0.64
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
GBA1 P04062 3/20 0.47
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 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
SCHEMBL18087219 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL391968 0.81 GPR119 (0.53) ALDH1A1HPGDL3MBTL1HSD17B10KDM4E
SCHEMBL387707 0.78 HTR3E (0.50) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL16836632 0.77 MEN1 (0.53) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL27722983 0.76 GBA1 (0.59) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL20042188 0.76 MAPT (0.54) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL11830636 0.76 MAPT (0.64) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL389963 0.75 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL13034553 0.75 GBA1 (0.75) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL390651 0.74 NOS1 (0.49) ALDH1A1MEN1KMT2AHPGDTP53

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-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
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 ALDH1A1 819/4885MEN1 4558/4885KMT2A 1975/4885

“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.