SCHEMBL391925

SCHEMBL391925

CC(C)(C)CC(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
ADRB1 P08588 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
FFAR4 Q5NUL3 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
CCR2 P41597 1/20 0.46
CYP2D6 P10635 2/20 0.46
ME2 P23368 2/20 0.46
ME1 P48163 2/20 0.46
ME3 Q16798 2/20 0.46
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 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
SCHEMBL14340875 0.88 MAPT (0.55) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL27747094 0.83 ADRB1 (0.62) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL13806708 0.82 MAPT (0.54) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL388016 0.82 HRH3 (0.57) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL26127089 0.81 HRH3 (0.60) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL387626 0.78 KDM4E (0.65) KDM4EALDH1A1CYP3A4CYP2C9KMT2A
SCHEMBL13893750 0.77 SLC6A9 (0.50) MAPTALDH1A1MEN1KMT2ACXCR3
SCHEMBL18901531 0.77 SIGMAR1 (0.48) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL12968838 0.76 ADRB1 (0.68) MAPTKDM4EALDH1A1ADRB1HRH3
SCHEMBL18901538 0.75 MAPT (0.52) MAPTKDM4EALDH1A1ADRB1HRH3

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 5 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-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 MAPT 3502/4885KDM4E 3756/4885ALDH1A1 819/4885

“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.