SCHEMBL4458746

SCHEMBL4458746

COc1cc(C2(C#N)CCN(C(=O)Cn3cc4cccnc4n3)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.44
PDE4A P27815 9/20 0.44
PDE4C Q08493 9/20 0.44
PDE4D Q08499 9/20 0.44
CCR1 P32246 5/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
CXCR3 P49682 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37

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
SCHEMBL4447197 0.83 CCR1 (0.45) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL1637609 0.81 CCR1 (0.65) CCR1
SCHEMBL13761267 0.78 CCR1 (0.52) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL4449398 0.75 CCR1 (0.52) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL1637613 0.75 CCR1 (0.49) CCR1CXCR3
SCHEMBL4450672 0.75 CCR1 (0.51) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL4455554 0.74 LMNA (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL13761303 0.73 CCR1 (0.50) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL14544225 0.73 CCR1 (0.67) PDE4BPDE4APDE4CPDE4DCCR1
SCHEMBL13761265 0.73 CCR1 (0.67) CCR1

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 6 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
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US 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
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 PDE4B 1242/4885PDE4A 1053/4885PDE4C 1418/4885

“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.