SCHEMBL733998

SCHEMBL733998

O=C(O)CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
EPHX2 P34913 2/20 0.55
CYP3A4 P08684 1/20 0.51
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
AGTR1 P30556 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
FFAR1 O14842 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL4312066 0.85 THRA (0.52) EPHX2ALDH1A1MAPTGAAAGTR1
SCHEMBL29894695 0.84 FABP4 (0.56) CYP3A4NPC1ALDH1A1MAPTRAB9A
SCHEMBL29499460 0.84 FFAR1 (0.46) ALDH1A1MAPTGAAAGTR1SMN1; SMN2
SCHEMBL1434153 0.84 FFAR1 (0.46) ALDH1A1MAPTGAAAGTR1SMN1; SMN2
SCHEMBL2728813 0.84 FABP4 (0.56) CYP3A4NPC1ALDH1A1MAPTRAB9A
SCHEMBL31028751 0.84 ALDH1A1 (0.70) NPC1ALDH1A1MAPTRAB9AGAA
SCHEMBL11006722 0.83 CYP3A4 (0.54) EPHX1EPHX2CYP3A4NPC1ALDH1A1
SCHEMBL1930556 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPTRAB9AGAAAGTR1
SCHEMBL11432298 0.81 CA2 (0.56) EPHX1EPHX2CYP3A4NPC1ALDH1A1
SCHEMBL1847384 0.81 FFAR1 (0.55) EPHX1EPHX2CYP3A4NPC1ALDH1A1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
CN-102112451-B Diazepan and piperazine derivatives modulators of chemokine receptors HOFFMANN LA ROCHE 2014-01-22 CN disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4210612-A LIGHT STABILIZERS FOR PLASTICS CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed
US-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 US 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 (2 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 EPHX1 897/4885EPHX2 1373/4885CYP3A4 790/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R EPHX1 1044/4885EPHX2 1321/4885CYP3A4 800/4885

“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.