SCHEMBL3115447

SCHEMBL3115447

CC(N)C(O)c1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ RECQL P46063 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ LMNA P02545 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ THPO P40225 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ MTOR P42345 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ADRB1 P08588 1/20 0.52
▸ MIF P14174 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ ADRA1A P35348 1/20 0.52

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
SCHEMBL15450383 0.85 KDM4E (0.55) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL19360100 0.85 KDM4E (0.70) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL3111714 0.80 RECQL (0.50) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL14587412 0.80 CES2 (0.44) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL5659719 0.80 CES2 (0.44) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL4337552 0.80 CES2 (0.44) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL16169011 0.79 CES2 (0.39) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL14100327 0.79 CES2 (0.39) KDM4ERECQLTDP1LMNAMAPT
SCHEMBL23232270 0.79 CES2 (0.50) ADRB1ADRA2AADRA2CCES2CES1
SCHEMBL4102499 0.79 CES2 (0.50) KDM4ERECQLTDP1LMNAMAPT

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-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF UNIVERSITAT TUBINGEN (DE) 2010-07-15 — — US disclosed
EP-2121571-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF Universität Tübingen (DE) 2009-11-25 — — EP disclosed
WO-2008113565-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF Universität Tübingen (DE) 2008-09-25 — — 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 (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-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF DBH, SLC6A3, COMT KDM4E 676/4885RECQL 814/4885TDP1 188/4885

“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.

Send feedback