SCHEMBL3594511

SCHEMBL3594511

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CCR3 P51677 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32
BRD4 O60885 2/20 0.32
TP53 P04637 1/20 0.32
HTR2C P28335 2/20 0.31
PLAT P00750 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
SCHEMBL3607799 0.89 JAK2 (0.33) DPP4JAK2JAK1CCR3TRPV4
SCHEMBL714646 0.82 JAK2 (0.40) JAK2JAK1CCR3BRD4TP53
Ammonia Solution, Strong SCHEMBL1763973 0.80 JAK2 (0.39) JAK2JAK1CCR3BRD4TP53
SCHEMBL3600694 0.71 CCR5 (0.40)
SCHEMBL3600421 0.69 DRD4 (0.49) JAK2JAK1
SCHEMBL16447914 0.69 MEN1 (0.45) JAK2JAK1HTR2C
SCHEMBL14177522 0.69 DPP4 (0.36) DPP4JAK1TRPV4
SCHEMBL5634958 0.68 NSD3 (0.46) JAK2JAK1HTR2C
SCHEMBL3868872 0.68
SCHEMBL3868874 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 CN disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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 (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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 DPP4 3575/4885JAK2 551/4885JAK1 2719/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 DPP4 3346/4885JAK2 373/4885JAK1 1780/4885

“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.