SCHEMBL3463844

SCHEMBL3463844

Cc1cc(-c2nn(CC(=O)O)c(C)c2Cl)ccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.38
FTO Q9C0B1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL3463168 0.77 ALDH1A1 (0.45) LMNAALDH1A1PTGDR2RAB9AGAA
SCHEMBL3465504 0.75 PTGDR2 (0.43) ALDH1A1PTGDR2RAB9AGAAHSD17B10
SCHEMBL2984091 0.75 ALDH1A1 (0.41) LMNAALDH1A1PTGDR2TDP1L3MBTL1
SCHEMBL13162715 0.75 ALDH1A1 (0.44) ALDH1A1PTGDR2TDP1RAB9AGAA
SCHEMBL16200196 0.75 PDE4D (0.42) ALDH1A1L3MBTL1MAPK1GAAPSEN1
SCHEMBL19396826 0.75 PTGS2 (0.47) PTGDR2MAPK1
SCHEMBL13682845 0.73 CCR1 (0.52)
SCHEMBL3465327 0.73 CCR1 (0.71)
SCHEMBL3466053 0.72 PTGDR2 (0.46) ALDH1A1PTGDR2RAB9AHSD17B10ALOX15
SCHEMBL15001827 0.71 TDP1 (0.46) TDP1L3MBTL1

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 8 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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN 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 LMNA 4351/4885ALDH1A1 951/4885PTGDR2 164/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 LMNA 4351/4885ALDH1A1 951/4885PTGDR2 164/4885

“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.