SCHEMBL687723

SCHEMBL687723

N#Cc1cccc(OCCCl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.54
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ICMT O60725 2/20 0.41
MAP4K4 O95819 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL31570766 1.00 TBXAS1 (0.54) TBXAS1HRH1CCR3SLC6A2SLC6A4
SCHEMBL688706 0.93 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2NR1H4
SCHEMBL690259 0.91 TBXAS1 (0.52) TBXAS1HRH1CCR3
SCHEMBL11024053 0.85 TBXAS1 (0.49) TBXAS1HRH1CCR3SLC6A2SLC6A4
SCHEMBL7388461 0.85 TBXAS1 (0.56) TBXAS1HRH1CCR3
SCHEMBL20552139 0.84 TBXAS1 (0.55) TBXAS1HRH1CCR3SLC6A2SLC6A4
SCHEMBL13684905 0.84 TBXAS1 (0.55) TBXAS1HRH1CCR3SLC6A2SLC6A4
SCHEMBL16956896 0.82 TBXAS1 (0.38) TBXAS1HRH1CCR3SMN1; SMN2
SCHEMBL3523783 0.82 TAAR1 (0.57) TBXAS1HRH1CCR3SMN1; SMN2MAP4K4
SCHEMBL3105876 0.82 TBXAS1 (0.54) TBXAS1HRH1CCR3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed
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
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 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.