SCHEMBL4184816

SCHEMBL4184816

Fc1ccccc1OCCN1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
LTA4H P09960 1/20 0.57
HRH3 Q9Y5N1 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
EPHX2 P34913 1/20 0.52
DRD2 P14416 3/20 0.51
ABCB1 P08183 3/20 0.51

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
SCHEMBL4182932 0.96 KDM4E (0.62) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4182228 0.91 LTA4H (0.55) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4177226 0.87 LTA4H (0.58) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4183852 0.87 DRD2 (0.60) KDM4EALDH1A1KMT2ALTA4HL3MBTL1
SCHEMBL4177277 0.87 LTA4H (0.67) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL13150800 0.84 LMNA (0.74) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4181640 0.83 LTA4H (0.71) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4182249 0.83 LTA4H (0.61) KDM4EALDH1A1KMT2ALTA4HL3MBTL1
SCHEMBL1728654 0.82 KDM4E (0.49) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL1730939 0.81 KDM4E (0.53) KDM4EALDH1A1KMT2ALMNAHTT

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-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US claimed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 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-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 KDM4E 4592/4885ALDH1A1 305/4885KMT2A 2658/4885

“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.