SCHEMBL3287865

SCHEMBL3287865

Cc1ccc([C@H]2[C@H](N)C2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
PRNP P04156 1/20 0.33
ALOX12 P18054 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CACNA1B Q00975 1/20 0.32

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
SCHEMBL3287857 1.00 MAOB (0.39) MAOBMAOAACHETDP1MEN1
SCHEMBL3290562 0.78 MAOB (0.46) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3289865 0.78 MAOB (0.46) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3289854 0.78 MAOB (0.46) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3289530 0.78 MAOB (0.46) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3290557 0.78 MAOB (0.46) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3286893 0.74 MAOB (0.44) MAOBMAOAMEN1KMT2AHTR2C
SCHEMBL3286897 0.74 MAOB (0.44) MAOBMAOAMEN1KMT2AHTR2C
SCHEMBL3286887 0.74 MAOB (0.44) MAOBMAOAMEN1KMT2AHTR2C
SCHEMBL3294029 0.73 CA2 (0.47) TDP1USP2

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 5 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-B Cyclopropyl aryl amide derivatives and uses thereof HOFFMANN LA ROCHE 2013-04-24 CN disclosed
CN-101815512-A cyclopropyl aryl amide derivatives and uses thereof HOFFMANN LA ROCHE 2010-08-25 CN 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

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 778/4885MAOA 899/4885ACHE 3093/4885

“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.