SCHEMBL4036910

SCHEMBL4036910

O=C1CCN(Cc2ccccc2)C(Cl)(Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GAA P10253 2/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ELANE P08246 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
POLB P06746 3/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL21748908 0.82 DDB1 (0.44) DDB1CRBNGAAEPHX2L3MBTL1
SCHEMBL3061605 0.82 GAA (0.45) DDB1CRBNGAAEPHX2L3MBTL1
SCHEMBL27229930 0.80 KMT2A (0.44) DDB1CRBNGAAEPHX2L3MBTL1
SCHEMBL29584384 0.78 DDB1 (0.41) DDB1CRBNGAAL3MBTL1SIGMAR1
SCHEMBL4726 0.71 SIGMAR1 (0.68) DDB1CRBNGAASIGMAR1KMT2A
SCHEMBL22069780 0.70 SLC6A3 (0.41) GAAL3MBTL1SIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL5671727 0.69 SIGMAR1 (0.65) DDB1CRBNGAASIGMAR1KMT2A
Iodide SCHEMBL1697595 0.69 SIGMAR1 (0.65) DDB1CRBNGAASIGMAR1KMT2A
SCHEMBL266771 0.68 SLC6A5 (0.59) SIGMAR1
SCHEMBL21244555 0.68 GAA (0.47) DDB1CRBNGAAEPHX2SIGMAR1

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-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 DDB1 3886/4885CRBN 3381/4885GAA 4099/4885

“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.