SCHEMBL4050900

SCHEMBL4050900

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.60
MEN1 O00255 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
DRD1 P21728 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
TSHR P16473 1/20 0.56
DRD2 P14416 5/20 0.56
CYP2D6 P10635 1/20 0.55
HTR2A P28223 1/20 0.55
DRD4 P21917 1/20 0.54

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
SCHEMBL7379763 0.82 MEN1 (0.70) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4496558 0.81 TSHR (0.76) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4050054 0.80 DRD2 (0.63) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4046349 0.80 DRD2 (0.55) DRD3MEN1CHRM2HTR1AADRA2A
Primaperone SCHEMBL310299 0.80 TSHR (0.74) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL9870507 0.80 DRD2 (0.55) DRD3MEN1CHRM2HTR1AADRA2A
Azabuperone SCHEMBL2111662 0.80 DRD3 (0.60) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4705658 0.79 DRD2 (0.53) DRD3MEN1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL11617321 0.79 DRD2 (0.60) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL8183381 0.79 DRD3 (0.65) DRD3MEN1CHRM2HTR1AADRA2A

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 5 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
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 DRD3 164/4885MEN1 4091/4885CHRM2 235/4885

“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.