SCHEMBL3465504

SCHEMBL3465504

Cc1c(Cl)c(-c2cc[n+]([O-])cc2)nn1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL3466053 0.86 PTGDR2 (0.46) PTGDR2RAB9AALDH1A1HSD17B10ALOX15
SCHEMBL3463844 0.75 LMNA (0.42) PTGDR2RAB9AALDH1A1HSD17B10ALOX15
SCHEMBL3463954 0.74 MEN1 (0.50) ALDH1A1HSD17B10GAA
SCHEMBL3463168 0.72 ALDH1A1 (0.45) PTGDR2RAB9AALDH1A1HSD17B10ALOX15
SCHEMBL13024306 0.71 KMT2A (0.65) ALDH1A1GAA
SCHEMBL13162715 0.71 ALDH1A1 (0.44) PTGDR2RAB9AALDH1A1HSD17B10ALOX15
SCHEMBL111808 0.70 ALDH1A1 (0.67) PTGDR2ALDH1A1GAA
SCHEMBL2984091 0.68 ALDH1A1 (0.41) PTGDR2RAB9AALDH1A1GAA
SCHEMBL13163211 0.68 MEN1 (0.51) PTGDR2ALDH1A1HSD17B10GAA
SCHEMBL3464010 0.67 ALDH1A1 (0.53) PTGDR2ALDH1A1GAA

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 9 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
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 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 (3 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 PTGDR2 164/4885RAB9A 4163/4885ALDH1A1 951/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PTGDR2 164/4885RAB9A 4163/4885ALDH1A1 951/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 PTGDR2 164/4885RAB9A 4163/4885ALDH1A1 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.