SCHEMBL3288096

SCHEMBL3288096

CCOC(=O)[C@H]1[C@H](c2cccc(OC)c2)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
SLC9A1 P19634 1/20 0.60
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
CACNA1D Q01668 2/20 0.44
CACNA1F O60840 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
MTNR1B P49286 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL3288086 1.00 TSHR (0.60) TSHRSLC9A1LMNAPOLBALDH1A1
SCHEMBL3288083 1.00 TSHR (0.60) TSHRSLC9A1LMNAPOLBALDH1A1
SCHEMBL15442810 0.85 TP53 (0.44) TSHRSLC9A1LMNAALDH1A1KDM4E
SCHEMBL15442806 0.85 TP53 (0.44) TSHRSLC9A1LMNAALDH1A1KDM4E
SCHEMBL15442805 0.85 TP53 (0.44) TSHRSLC9A1LMNAALDH1A1KDM4E
SCHEMBL6320758 0.83 ALDH1A1 (0.53) TSHRLMNAALDH1A1KDM4ECACNA1D
SCHEMBL3658497 0.82 SLC9A1 (0.67) TSHRSLC9A1LMNAPOLBALDH1A1
SCHEMBL3287381 0.82 SLC9A1 (0.67) TSHRSLC9A1LMNAPOLBALDH1A1
SCHEMBL3287364 0.82 SLC9A1 (0.67) TSHRSLC9A1LMNAPOLBALDH1A1
SCHEMBL3287370 0.82 SLC9A1 (0.67) TSHRSLC9A1LMNAPOLBALDH1A1

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-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
EP-2207540-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-21 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A TSHR 367/4885SLC9A1 3094/4885LMNA 2838/4885

“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.