SCHEMBL3465376

SCHEMBL3465376

Cc1c(Cl)c(-c2ncco2)nn1CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
MEN1 O00255 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL2984091 0.83 ALDH1A1 (0.41) TDP1ALDH1A1LMNALTA4H
SCHEMBL13163347 0.72 KDM4E (0.38) FPR2TDP1HTTKDM4EALDH1A1
SCHEMBL14495077 0.69 CCR1 (0.42) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13184123 0.69 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3464645 0.68 CCR1 (0.70)
SCHEMBL18183872 0.68 POLB (0.40) FAAHKMT2AMAPTMEN1
SCHEMBL20589153 0.67 BRD4 (0.38) KDM4EALDH1A1MAPT
SCHEMBL4455328 0.67 CCR1 (0.40) KDM4EALDH1A1
SCHEMBL13163211 0.65 MEN1 (0.51) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL10553435 0.64 FPR2 (0.51) FPR2KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US 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-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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 FPR2 53/4885TDP1 3835/4885HTT 3478/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 FPR2 53/4885TDP1 3835/4885HTT 3478/4885

“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.