SCHEMBL735569

SCHEMBL735569

O=C1CCN(c2cccc(OC(F)(F)F)c2)CCN1[C@H](CO)CCCN1CCC2(CC2)C(O)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CHRM4 P08173 9/20 0.38
LIPE Q05469 1/20 0.38
HTR7 P34969 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
DHFR P00374 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL735568 1.00 NOTUM (0.38) NOTUMFFAR4CHRM4LIPEHTR7
SCHEMBL735567 1.00 NOTUM (0.38) NOTUMFFAR4CHRM4LIPEHTR7
SCHEMBL736803 0.96 NOTUM (0.39) NOTUMFFAR4CHRM4LIPECHRM2
SCHEMBL736804 0.96 NOTUM (0.39) NOTUMFFAR4CHRM4LIPECHRM2
SCHEMBL736360 0.90 HTR7 (0.48) HTR7DRD2DRD3
SCHEMBL736362 0.90 HTR7 (0.48) HTR7DRD2DRD3
SCHEMBL736361 0.90 HTR7 (0.48) HTR7DRD2DRD3
SCHEMBL734983 0.88 LIPE (0.43) CHRM4LIPE
SCHEMBL734982 0.88 LIPE (0.43) CHRM4LIPE
SCHEMBL13495215 0.87 FFAR4 (0.41) NOTUMFFAR4CHRM4LIPECHRM2

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-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 NOTUM 4344/4885FFAR4 471/4885CHRM4 83/4885

“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.