SCHEMBL388016

SCHEMBL388016

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.54
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
ADRB1 P08588 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
CCR2 P41597 4/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL390651 0.85 NOS1 (0.49) HPGDSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL26127089 0.85 HRH3 (0.60) HRH3HPGDSMN1; SMN2MAPTPPARG
SCHEMBL390540 0.84 OPRD1 (0.57) HRH3HPGDSMN1; SMN2KCNH2
SCHEMBL390619 0.83 HRH3 (0.56) HRH3HPGDSMN1; SMN2KDM4EKCNH2
SCHEMBL390340 0.83 HRH3 (0.54) HRH3HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL391925 0.82 MAPT (0.57) HRH3MAPTPPARGPPARDPPARA
SCHEMBL10167993 0.82 HPGD (0.42) HRH3HPGDSMN1; SMN2KCNH2
SCHEMBL389756 0.81 HRH3 (0.56) HRH3HPGDSMN1; SMN2KCNH2
SCHEMBL388764 0.81 GRIN2D (0.49) HPGDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL390338 0.81 HRH3 (0.56) HRH3HPGDSMN1; SMN2KDM4EMEN1

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 9 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

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 HRH3 661/4885HPGD 2246/4885SMN1; SMN2 960/4885

“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.