SCHEMBL521826

SCHEMBL521826

Fc1c(Cl)cccc1OBOc1cccc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
GCK P35557 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
IDO1 P14902 1/20 0.33
KAT2B Q92831 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 6/20 0.32
SLC6A2 P23975 5/20 0.32
DPP4 P27487 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
CFD P00746 1/20 0.31

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
SCHEMBL19886484 0.83 MRGPRX4 (0.44) MRGPRX4GCKCYP1A2CYP2A6TSHR
SCHEMBL28500626 0.79 MRGPRX4 (0.42) MRGPRX4GCKCYP1A2CYP2A6LMNA
SCHEMBL522189 0.77 SLC6A2 (0.46) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL263719 0.77 ALDH1A1 (0.42) MRGPRX4CYP1A2CYP2A6IDO1LMNA
SCHEMBL24166 0.77 TSHR (0.45) LMNATSHRSLC6A2DPP4SMN1; SMN2
SCHEMBL1728265 0.76 CA12 (0.46) MRGPRX4LMNAHTR2ASMN1; SMN2MAPK10
SCHEMBL14237478 0.74 SLC6A2 (0.33) HTR1ASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL2723162 0.74 ALDH1A1 (0.45) MRGPRX4CYP1A2CYP2A6IDO1LMNA
SCHEMBL518108 0.74 CA1 (0.44) CYP2A6LMNATSHRSMN1; SMN2
SCHEMBL17224442 0.74 KMT2A (0.38) MRGPRX4CYP1A2CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022119174-A1 DIBENZO 5-MEMBERED CYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 랩토 2022-06-09 WO disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-8507724-B2 Compounds for use in the treatment of pain THE UNIVERSITY OF DUNDEE (GB) 2013-08-13 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF DUNDEE (GB) 2012-02-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO 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 (6 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R MRGPRX4 117/4885GCK 1943/4885CYP1A2 252/4885
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 MRGPRX4 22/4885GCK 3943/4885CYP1A2 783/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R MRGPRX4 129/4885GCK 1915/4885CYP1A2 265/4885
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 MRGPRX4 377/4885GCK 2743/4885CYP1A2 120/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR MRGPRX4 29/4885GCK 3496/4885CYP1A2 687/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R MRGPRX4 117/4885GCK 1943/4885CYP1A2 252/4885

“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.