SCHEMBL3464564

SCHEMBL3464564

C=C(C)c1nn(CC(=O)OCC)c(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
NLRP3 Q96P20 1/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 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
SCHEMBL14139187 0.85 MAPK1 (0.45) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13024308 0.80 TSHR (0.49) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13024311 0.78 MAPK1 (0.46) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL14566300 0.78 TSHR (0.48) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13024389 0.74 KDM4E (0.63) CYP2C19NLRP3KDM4E
SCHEMBL3466044 0.74 CCR1 (0.46) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13024322 0.73 ALDH1A1 (0.43) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13163439 0.73 MAPK1 (0.40) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL4018486 0.72 MAPK1 (0.41) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13024312 0.72 L3MBTL1 (0.42) MAPK1TSHRALDH1A1CYP2C19SMN1; SMN2

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 13 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
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 MAPK1 1051/4885TSHR 2545/4885ALDH1A1 951/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPK1 1051/4885TSHR 2545/4885ALDH1A1 951/4885

“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.