SCHEMBL4518823

SCHEMBL4518823

FC(F)(F)Oc1ccc([CH]C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
SLC6A4 P31645 3/20 0.39
EPHX2 P34913 4/20 0.39
FAAH O00519 1/20 0.39
EPHX1 P07099 2/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
SLC6A3 Q01959 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL13790221 0.74 CYP2D6 (0.50) PIM1PIM2EPHX2MAPTCYP2D6
SCHEMBL2092050 0.74 PIM1 (0.49) PIM1PIM2KDM1ARCOR1EPHX2
SCHEMBL8055688 0.74 ALDH1A1 (0.50) MAPTCYP2D6KDM4EALDH1A1MAOB
SCHEMBL254957 0.73 MAPT (0.56) PIM1PIM2EPHX2MAPTKDM4E
SCHEMBL15117409 0.73 PIM1 (0.47) PIM1PIM2BCHEACHEBACE1
SCHEMBL6011005 0.72 EPHX1 (0.45) PIM1PIM2BCHEACHEBACE1
SCHEMBL13503848 0.72 PIM1 (0.48) PIM1PIM2BCHEACHEBACE1
SCHEMBL28757636 0.71 MAPT (0.47) PIM1PIM2EPHX2MAPTCYP2D6
SCHEMBL171790 0.71 ALDH1A1 (0.50) PIM1PIM2KDM1ARCOR1EPHX2
SCHEMBL3396974 0.71 PIM1 (0.46) PIM1PIM2KDM1ARCOR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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 (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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS PIM1 1421/4885PIM2 902/4885BCHE 1409/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE PIM1 2129/4885PIM2 2775/4885BCHE 3/4885

“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.