SCHEMBL3466044

SCHEMBL3466044

CCOC(=O)Cn1nc(C(C)(C)O)c(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 2/20 0.43
TSHR P16473 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL13024389 0.86 KDM4E (0.63) CCR1KDM4ERECQLCYP2C19NLRP3
SCHEMBL3464061 0.82 KDM4E (0.50) CCR1KDM4ERECQLALDH1A1LMNA
SCHEMBL13024308 0.80 TSHR (0.49) MAPK1TSHRCYP2C19HTTALDH1A1
SCHEMBL14566300 0.78 TSHR (0.48) KDM4EMAPK1TSHRCYP2C19HTT
SCHEMBL13024311 0.78 MAPK1 (0.46) CCR1KDM4EMAPK1TSHRCYP2C19
SCHEMBL14139187 0.77 MAPK1 (0.45) KDM4EMAPK1TSHRCYP2C19HTT
SCHEMBL3464564 0.74 MAPK1 (0.43) KDM4EMAPK1TSHRCYP2C19HTT
SCHEMBL13024322 0.73 ALDH1A1 (0.43) KDM4EMAPK1TSHRCYP2C19HTT
SCHEMBL4018486 0.72 MAPK1 (0.41) CCR1KDM4EMAPK1TSHRCYP2C19
SCHEMBL13024312 0.72 L3MBTL1 (0.42) KDM4EMAPK1TSHRCYP2C19HTT

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-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-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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885KDM4E 3949/4885RECQL 4101/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885KDM4E 3949/4885RECQL 4101/4885

“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.