SCHEMBL13229846

SCHEMBL13229846

O=C(O)CN1CCCOC(Cc2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.41
GLA P06280 2/20 0.40
TSHR P16473 1/20 0.39
FABP4 P15090 2/20 0.39
HRH1 P35367 1/20 0.39
ENPP2 Q13822 1/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2796920 0.88 KDM4E (0.43) DRD4KDM4ELMNAPOLBKMT2A
SCHEMBL2796563 0.81 DRD4 (0.66) DRD4
SCHEMBL2795689 0.78 DRD4 (0.41) DRD4KDM4ELMNAPOLBKMT2A
SCHEMBL2796609 0.76 MEN1 (0.52) DRD4KDM4ELMNAPOLBKMT2A
SCHEMBL13282676 0.74 ALDH1A1 (0.41) KDM4ELMNAPOLB
SCHEMBL2798172 0.74 ALDH1A1 (0.54) KDM4EPOLBKMT2AMEN1
SCHEMBL2793472 0.73 CCR3 (0.48) DRD4POLB
SCHEMBL2795870 0.73 DRD4 (0.48) DRD4KDM4E
SCHEMBL2797541 0.72 ALDH1A1 (0.57) POLBKMT2AHSD17B10
SCHEMBL5999857 0.72 MEN1 (0.64) KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 DRD4 633/4885KDM4E 3087/4885LMNA 4643/4885

“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.