SCHEMBL3287396

SCHEMBL3287396

COc1cccc([C@H]2[C@H](N)C2(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.56
KDM1A O60341 2/20 0.48
RCOR1 Q9UKL0 1/20 0.48
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43

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
SCHEMBL3287387 1.00 SLC9A1 (0.56) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL3287384 1.00 SLC9A1 (0.56) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL8098608 0.80 HTR2C (0.54) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL8098604 0.80 HTR2C (0.54) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL8098599 0.80 HTR2C (0.54) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL8098006 0.77 SLC9A1 (0.51) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL8098003 0.77 SLC9A1 (0.51) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL6319711 0.77 SLC9A1 (0.51) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL6321790 0.77 SLC9A1 (0.51) SLC9A1KDM1ARCOR1HTR2CHTR2A
SCHEMBL3658497 0.76 SLC9A1 (0.67) SLC9A1HTR2CALDH1A1HSD11B1KDM4E

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 10 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

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 SLC9A1 3094/4885KDM1A 1930/4885RCOR1 416/4885

“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.