SCHEMBL3464205

SCHEMBL3464205

CCOC(=O)c1cc(N2CCNCC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
ADRB1 P08588 3/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
P2RX7 Q99572 1/20 0.51
PARP1 P09874 1/20 0.50
DYRK1A Q13627 1/20 0.48
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5863451 0.87 ADRB1 (0.55) MAPTMAPK1HTTADRB1DYRK1A
SCHEMBL13033437 0.86 MAPK1 (0.59) MAPTMAPK1HTTCYP4F2CYP4A11
SCHEMBL17543983 0.85 MAPT (0.54) MAPTMAPK1HTTCYP4F2CYP4A11
SCHEMBL19212046 0.85 MAPT (0.46) MAPTMAPK1HTTADRB1DYRK1A
SCHEMBL8352185 0.84 ADRB1 (0.55) MAPTMAPK1HTTADRB1DYRK1A
SCHEMBL709125 0.83 MAPT (0.50) MAPTMAPK1HTTADRB1DYRK1A
SCHEMBL1959051 0.82 MAPT (0.45) MAPTMAPK1HTTADRB1DYRK1A
SCHEMBL5863292 0.82 ALDH1A1 (0.49) MAPTMAPK1HTTADRB1KMT2A
SCHEMBL17543798 0.81 MAPT (0.50) MAPTMAPK1HTTCYP4F2CYP4A11
SCHEMBL3463899 0.81 MAPT (0.59) MAPTMAPK1HTTALDH1A1POLB

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 15 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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
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
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 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 MAPT 4063/4885MAPK1 1051/4885HTT 3478/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885MAPK1 1051/4885HTT 3478/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPT 4063/4885MAPK1 1051/4885HTT 3478/4885

“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.