SCHEMBL4046988

SCHEMBL4046988

O=C(CCCN1CCCC(COc2ccccc2-c2ccno2)C1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 6/20 0.47
HTR2A P28223 5/20 0.47
DRD4 P21917 4/20 0.47
HTR1A P08908 4/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRA2C P18825 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL6614953 0.85 KDM4E (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL4054675 0.83 CHRNB4 (0.53) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4705658 0.82 DRD2 (0.53) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4758750 0.81 DRD2 (0.48) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4051310 0.81 ALDH1A1 (0.51) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4048748 0.81 DRD2 (0.49) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4222884 0.80 TMEM97 (0.51) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4051698 0.80 ALDH1A1 (0.50) DRD2DRD3HTR2AHTR1AMEN1
SCHEMBL4046282 0.80 ALDH1A1 (0.50) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4045253 0.79 ALDH1A1 (0.49) DRD2DRD3HTR2ADRD4HTR1A

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
EP-1421070-B1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-11-26 EP claimed
US-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-21 US claimed
EP-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO claimed
EP-2020409-A1 New piperidinyl derivatives as modulators of chemokine receptor activity AstraZeneca AB (SE) 2009-02-04 EP disclosed
EP-1421070-B1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-11-26 EP disclosed
US-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-10-21 US disclosed
EP-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 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-20040209879-A1 Piperidinyl derivates as modulators of chemokine receptor activity CCR2, CXCR1, CCR5 DRD2 245/4885DRD3 164/4885HTR2A 1188/4885

“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.