SCHEMBL687762

SCHEMBL687762

N#Cc1cccc(OCCCn2cccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.58
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ICMT O60725 4/20 0.43
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL688958 0.81 TSHR (0.65) TBXAS1ALDH1A1TSHR
SCHEMBL14136068 0.78 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL688957 0.78 TBXAS1 (0.88) TBXAS1ALDH1A1TSHR
SCHEMBL12750375 0.77 ALDH1A1 (0.45) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27749715 0.77 KMT2A (0.59) ALDH1A1TSHR
SCHEMBL5664126 0.77 TBXAS1 (0.59) TBXAS1HRH1CCR3ALDH1A1TSHR
SCHEMBL7388461 0.76 TBXAS1 (0.56) TBXAS1HRH1CCR3
Hydrochloric Acid SCHEMBL688694 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL9021032 0.76 LTA4H (0.56) TBXAS1HRH1ALDH1A1TSHR
SCHEMBL1070542 0.75 CYP11B1 (0.55) TBXAS1HRH1CCR3ALDH1A1TSHR

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 10 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
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-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US 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
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN 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 383/4885HRH1 1180/4885CCR3 2878/4885

“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.