SCHEMBL688978

SCHEMBL688978

N#Cc1cccc(OCCCOc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
GRM5 P41594 2/20 0.37
FFAR1 O14842 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 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
SCHEMBL689120 0.97 TBXAS1 (0.46) TBXAS1GRM5FFAR1HTR2CSMN1; SMN2
SCHEMBL689731 0.83 LMNA (0.44) TBXAS1HRH1CCR3SMN1; SMN2MEN1
SCHEMBL689235 0.82 LMNA (0.44) TBXAS1GRM5FFAR1
SCHEMBL688443 0.81 LOXL2 (0.35) F2PLGPRSS1PRSS2C1S
SCHEMBL12750283 0.79 TBXAS1 (0.54) TBXAS1FFAR1HRH1CCR3HTR2C
SCHEMBL689402 0.78 GABRG2 (0.47) GRM5FFAR1
SCHEMBL689324 0.77 LOXL2 (0.36) SMN1; SMN2
SCHEMBL12750184 0.75 TBXAS1 (0.55) TBXAS1FFAR1HRH1CCR3HTR2C
SCHEMBL688992 0.71 GABRG2 (0.43) GRM5FFAR1
SCHEMBL7388461 0.70 TBXAS1 (0.56) TBXAS1PRSS1HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 TBXAS1 383/4885GRM5 3215/4885FFAR1 4360/4885

“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.