SCHEMBL2158197

SCHEMBL2158197

Fc1ccccc1OCCN1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
LTA4H P09960 2/20 0.54
SIGMAR1 Q99720 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
HTR2C P28335 1/20 0.49
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL13698799 0.89 KDM4E (0.69) KDM4EALDH1A1MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1728657 0.87 KDM4E (0.67) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13467867 0.85 CYP2D6 (0.79) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3864837 0.85 SIGMAR1 (0.52) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL11360251 0.81 TDP1 (0.74) KDM4EALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL28311407 0.81 TSHR (0.72) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL3436048 0.81 POLB (0.55) KDM4EALDH1A1CYP2C19LTA4HSIGMAR1
SCHEMBL7601343 0.81 HTR2C (0.60) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8232159 0.80 KDM4E (0.79) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL17842078 0.80 LTA4H (0.57) KDM4EALDH1A1MEN1CYP1A2CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US disclosed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
CN-101384260-A Piperazine derivatives MS SCIENCE CORP (JP) 2009-03-11 CN disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO 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 (2 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 KDM4E 3431/4885ALDH1A1 509/4885MEN1 2035/4885
US-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 KDM4E 4592/4885ALDH1A1 305/4885MEN1 3674/4885

“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.