SCHEMBL13024312

SCHEMBL13024312

CCOC(=O)Cn1nc(N2CCCC2)c(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 4/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 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 0.78 TSHR (0.49) MAPK1TSHRALDH1A1LMNACYP2C19
SCHEMBL14566300 0.76 TSHR (0.48) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL13024311 0.76 MAPK1 (0.46) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL14139187 0.74 MAPK1 (0.45) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL13024389 0.72 KDM4E (0.63) CYP2C19NLRP3KDM4E
SCHEMBL3466044 0.72 CCR1 (0.46) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL3464564 0.72 MAPK1 (0.43) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL13024322 0.71 ALDH1A1 (0.43) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL13163439 0.71 MAPK1 (0.40) MAPK1TSHRALDH1A1POLBLMNA
SCHEMBL4018486 0.70 MAPK1 (0.41) MAPK1TSHRALDH1A1POLBLMNA

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 L3MBTL1 1589/4885MAPK1 1051/4885TSHR 2545/4885

“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.