SCHEMBL6367884

SCHEMBL6367884

CON(C)C(=O)[C@@H](N)C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
AOC3 Q16853 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 3/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNA5 P22460 1/20 0.34
CYP2D6 P10635 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6647558 0.82 KMT2A (0.47) KMT2AAAK1MEN1ATML3MBTL1
SCHEMBL6702668 0.82 KMT2A (0.47) KMT2AAAK1MEN1ATML3MBTL1
SCHEMBL27598805 0.82 KMT2A (0.47) KMT2AAAK1MEN1ATML3MBTL1
SCHEMBL4526758 0.80 KMT2A (0.46) KMT2AAOC3DPP4AAK1MEN1
SCHEMBL24851748 0.77 KMT2A (0.52) KMT2AAOC3AAK1MEN1ATM
SCHEMBL1919826 0.76 CYP2D6 (0.50) KMT2AAOC3DPP4AAK1MEN1
SCHEMBL10776110 0.75 KMT2A (0.44) KMT2AAAK1MEN1ATML3MBTL1
SCHEMBL6367587 0.75 KMT2A (0.46) KMT2AAOC3AAK1MEN1ATM
SCHEMBL6701590 0.75 KMT2A (0.46) KMT2AAOC3AAK1MEN1ATM
SCHEMBL4520911 0.75 KMT2A (0.46) KMT2AAOC3AAK1MEN1ATM

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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-08-04 US disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1490336-A1 PIPERIDINE OR 8-AZA-BICYCLO(3.2.1)OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-12-29 EP disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003080574-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) CCR5, CXCR1, CCR7 KMT2A 1493/4885JAK3 1981/4885BTK 2883/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 KMT2A 4577/4885JAK3 2091/4885BTK 1775/4885

“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.