SCHEMBL2878951

SCHEMBL2878951

COc1cc(N2CCNC(C(=O)O)C2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
CCR1 P32246 13/20 0.43
SUV39H2 Q9H5I1 1/20 0.41

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
SCHEMBL1639654 0.82 BCL2A1 (0.50) CCR1SUV39H2
SCHEMBL1639658 0.82 BCL2A1 (0.50) CCR1SUV39H2
SCHEMBL2867159 0.82 BCL2A1 (0.50) CCR1SUV39H2
SCHEMBL3315930 0.82 ALDH1A1 (0.58)
Hydrochloric Acid SCHEMBL1637572 0.81 BCL2A1 (0.49) CCR1SUV39H2
Hydrochloric Acid SCHEMBL1637571 0.81 BCL2A1 (0.49) CCR1SUV39H2
SCHEMBL29768447 0.81 NOTUM (0.36) NOTUM
SCHEMBL13024356 0.80 SUV39H2 (0.60) CCR1SUV39H2
SCHEMBL2873572 0.80 SUV39H2 (0.60) CCR1SUV39H2
SCHEMBL29768459 0.79 ADRA1D (0.37) NOTUM

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 NOTUM 4580/4885CCR1 1/4885SUV39H2 3078/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4580/4885CCR1 1/4885SUV39H2 3078/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NOTUM 4652/4885CCR1 1/4885SUV39H2 2585/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 NOTUM 4580/4885CCR1 1/4885SUV39H2 3078/4885

“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.