SCHEMBL13024322

SCHEMBL13024322

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
NLRP3 Q96P20 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL13024308 0.79 TSHR (0.49) ALDH1A1TSHRMAPK1KMT2ACYP2C19
SCHEMBL14566300 0.77 TSHR (0.48) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL13024311 0.77 MAPK1 (0.46) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL14139187 0.75 MAPK1 (0.45) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL13024389 0.73 KDM4E (0.63) KDM4ECYP2C19NLRP3
SCHEMBL3464564 0.73 MAPK1 (0.43) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL3466044 0.73 CCR1 (0.46) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL4018486 0.71 MAPK1 (0.41) ALDH1A1TSHRMAPK1KDM4EHPGD
SCHEMBL13024312 0.71 L3MBTL1 (0.42) ALDH1A1TSHRMAPK1KDM4EPOLB
SCHEMBL13682956 0.70 LMNA (0.36) ALDH1A1TSHRMAPK1KDM4EHPGD

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 6 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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
US-7435830-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 ALDH1A1 951/4885TSHR 2545/4885MAPK1 1051/4885

“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.