SCHEMBL4046349

SCHEMBL4046349

O=C(CCCN1CCCC(Cc2ccccc2S(=O)(=O)O)C1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
HTR2A P28223 1/20 0.55
DRD3 P35462 3/20 0.52
DRD4 P21917 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4050900 0.80 DRD3 (0.60) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4046344 0.79 HTR2A (0.53) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4050054 0.79 DRD2 (0.63) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4048748 0.76 DRD2 (0.49) DRD2HTR2ADRD3DRD4MEN1
Hydrochloric Acid SCHEMBL11617321 0.74 DRD2 (0.60) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4705658 0.74 DRD2 (0.53) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4045253 0.74 ALDH1A1 (0.49) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4051310 0.74 ALDH1A1 (0.51) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4054675 0.74 CHRNB4 (0.53) DRD2HTR2ADRD3DRD4MEN1
SCHEMBL4224500 0.73 DRD2 (0.48) DRD2HTR2ADRD3DRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 245/4885HTR2A 1188/4885DRD3 164/4885

“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.