SCHEMBL3607515

SCHEMBL3607515

CCc1cc(Cl)ccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ERN1 O75460 5/20 0.48
PTGER4 P35408 1/20 0.40
PTPN1 P18031 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL27651048 0.83 TDP1 (0.57) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL15653272 0.83 TDP1 (0.57) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL17429171 0.83 ERN1 (0.53) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL15813516 0.82 TDP1 (0.55) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL8170934 0.82 TDP1 (0.41) TDP1ERN1HPGDMAPTMEN1
SCHEMBL15652421 0.82 TDP1 (0.55) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL15652935 0.82 TDP1 (0.55) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL11822958 0.80 TDP1 (0.53) TDP1ERN1PTGER4PTPN1HSD17B10
SCHEMBL24182447 0.79 TDP1 (0.52) TDP1ERN1PTPN1MAPTMEN1
SCHEMBL24500618 0.79 HPGD (0.57) TDP1HSD17B10HPGDMAPTMEN1

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
CN-114853608-A Synthetic method of [60] fullerene hydrogen derivative catalyzed by N-heterocyclic carbene 河南师范大学 2022-08-05 CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3221304-B1 NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 LILLY CO ELI (US) 2019-07-24 EP 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
CN-101600700-B Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE 2013-08-21 CN disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
CN-101600700-A Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE (CH) 2009-12-09 CN 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 (3 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 TDP1 767/4885ERN1 3566/4885PTGER4 982/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R TDP1 957/4885ERN1 3709/4885PTGER4 1082/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R TDP1 767/4885ERN1 3566/4885PTGER4 982/4885

“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.