SCHEMBL3286897

SCHEMBL3286897

CC1(C)[C@@H](N)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
KDM1A O60341 4/20 0.44
MAOA P21397 2/20 0.44
RCOR1 Q9UKL0 1/20 0.44
HTR2C P28335 3/20 0.40
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3286887 1.00 MAOB (0.44) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL3286893 1.00 MAOB (0.44) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL23848445 0.78 ALDH1A1 (0.48) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL3287857 0.74 MAOB (0.39) MAOBKDM1AMAOAHTR2CKDM4E
SCHEMBL11303199 0.72 HTT (0.39) KDM4EALDH1A1CHRM2CHRM4CHRNB2
SCHEMBL11303200 0.72 HTT (0.39) KDM4EALDH1A1CHRM2CHRM4CHRNB2
SCHEMBL3289854 0.72 MAOB (0.46) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL3289530 0.72 MAOB (0.46) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL3289865 0.72 MAOB (0.46) MAOBKDM1AMAOARCOR1HTR2C
SCHEMBL11397455 0.69 POLB (0.38) KDM4EALDH1A1HSD17B10CHRM2CHRM4

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 6 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
CN-101815512-A cyclopropyl aryl amide derivatives and uses thereof HOFFMANN LA ROCHE 2010-08-25 CN 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-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 MAOB 778/4885KDM1A 1930/4885MAOA 899/4885

“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.