SCHEMBL4449398

SCHEMBL4449398

COc1cc(C2(C#N)CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)CC2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.52
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36

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
SCHEMBL13761271 0.92 CCR1 (0.42) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL14544296 0.90 CCR1 (0.41) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13761091 0.87 CCR1 (0.49) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4450672 0.87 CCR1 (0.51) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL1637676 0.83 CCR1 (0.73) CCR1
SCHEMBL4447197 0.81 CCR1 (0.45) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13761267 0.79 CCR1 (0.52) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13761266 0.78 CCR1 (0.42) CCR1PDE4APDE4BPDE4CPDE4D
SCHEMBL1638793 0.78 CCR1 (0.56) CCR1
SCHEMBL14544292 0.77 CCR1 (0.41) CCR1PDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 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 (1 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-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 CCR1 1/4885PDE4A 1053/4885PDE4B 1242/4885

“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.