SCHEMBL13184253

SCHEMBL13184253

CC(=O)c1nn(C)c(C)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32

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
SCHEMBL1144778 0.77 POLB (0.39) POLBPTGS2KDM4EHPGDGAA
SCHEMBL38664334 0.75 KDM4E (0.39) POLBKDM4EHPGDGAAALDH1A1
SCHEMBL13683126 0.75 POLB (0.57) POLBPTGS2KDM4EHPGDGAA
SCHEMBL13184257 0.73 ALDH1A1 (0.44) KDM4EHPGDGAAALDH1A1LMNA
SCHEMBL13184255 0.71 MAPT (0.37) POLBKDM4EHPGDGAAALDH1A1
SCHEMBL12745274 0.70 — —
SCHEMBL38666469 0.69 ALDH1A1 (0.55) GAAALDH1A1L3MBTL1RAB9AKMT2A
SCHEMBL13683137 0.69 HDAC1 (0.43) POLBKDM4EHPGDALDH1A1LMNA
SCHEMBL13683131 0.68 GRM5 (0.42) POLBKDM4EGAAALDH1A1HTR2A
SCHEMBL1086082 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — 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-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 POLB 2884/4885PTGS2 667/4885KDM4E 3949/4885

“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.

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