SCHEMBL3607799

SCHEMBL3607799

Cc1nnc(C(C)(F)F)n1C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CCR3 P51677 1/20 0.33
DPP4 P27487 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL3594511 0.89 DPP4 (0.39) JAK2JAK1CCR3DPP4TRPV4
SCHEMBL14177522 0.81 DPP4 (0.36) JAK1DPP4TRPV4CYP11B1CYP11B2
SCHEMBL714646 0.80 JAK2 (0.40) JAK2JAK1CCR3TP53BRD4
Ammonia Solution, Strong SCHEMBL1763973 0.79 JAK2 (0.39) JAK2JAK1CCR3TP53BRD4
SCHEMBL13404350 0.75 JAK2 (0.37) JAK2JAK1CCR3TRPV4CYP11B1
SCHEMBL3600694 0.70 CCR5 (0.40)
SCHEMBL16447914 0.68 MEN1 (0.45) JAK2JAK1
SCHEMBL5634958 0.67 NSD3 (0.46) JAK2JAK1
SCHEMBL17856438 0.65 GAA (0.36) CYP11B1CYP11B2
SCHEMBL5634461 0.63 CCR5 (0.48) TP53BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 US disclosed
EP-2091946-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES AstraZeneca AB (SE) 2009-08-26 EP disclosed
WO-2008071927-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
WO-2008071927-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 US disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 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 (2 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-20080139612-A1 Chemical Compound CCR5, CCR2, CXCR3 JAK2 40/4885JAK1 155/4885CCR3 9/4885
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CXCR5, CCR2 JAK2 191/4885JAK1 860/4885CCR3 11/4885

“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.