SCHEMBL2870800

SCHEMBL2870800

CN(Cc1cc(Br)ccc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
AAK1 Q2M2I8 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL31279443 0.82 RIPK1 (0.54) ALDH1A1HTTCHRNB2CHRNB4CHRNA3
SCHEMBL1901573 0.81 CHRNB2 (0.53) ALDH1A1LMNAHTTCHRNB2CHRNB4
SCHEMBL16744618 0.81 KMT2A (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27186217 0.80 HPGD (0.48) ALDH1A1HTTPTGDR2CHRNB2CHRNB4
SCHEMBL13687204 0.78 CHRNB2 (0.61) ALDH1A1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL616125 0.78 PTGDR2 (0.44) ALDH1A1HTTPTGDR2CHRNB2CHRNB4
SCHEMBL2873436 0.77 ADRB1 (0.42)
SCHEMBL29211248 0.76 ALDH1A1 (0.43) ALDH1A1LMNAAAK1POLBMEN1
SCHEMBL25272366 0.76 TDP1 (0.49) ALDH1A1LMNAPTGDR2CHRNB2CHRNB4
SCHEMBL20683501 0.76 CHRNB2 (0.53) ALDH1A1LMNAHTTCHRNB2CHRNB4

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 10 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
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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (4 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 CCR5 8/4885ALDH1A1 951/4885LMNA 4351/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR5 8/4885ALDH1A1 951/4885LMNA 4351/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR5 7/4885ALDH1A1 788/4885LMNA 4218/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR5 8/4885ALDH1A1 951/4885LMNA 4351/4885

“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.