SCHEMBL3289865

SCHEMBL3289865

CC1(C)[C@H](c2ccccc2)[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.46
MAOA P21397 14/20 0.46
KDM1A O60341 12/20 0.46
SLC9A1 P19634 1/20 0.46
HTR2C P28335 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 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
SCHEMBL3290562 1.00 MAOB (0.46) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL3290557 1.00 MAOB (0.46) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL3289854 1.00 MAOB (0.46) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL3289530 1.00 MAOB (0.46) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL13328377 0.78 MAOB (0.39) MAOBMAOAKDM1AHTR2CHTR2A
SCHEMBL3287865 0.78 MAOB (0.39) MAOBMAOAKDM1AHTR2CHTR2A
SCHEMBL3287857 0.78 MAOB (0.39) MAOBMAOAKDM1AHTR2CHTR2A
SCHEMBL10975565 0.77 CHRNA7 (0.47) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL30312019 0.76 KDM1A (0.46) MAOBMAOAKDM1ASLC9A1HTR2C
SCHEMBL30311999 0.75 SLC9A1 (0.42) MAOBMAOAKDM1ASLC9A1HTR2C

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 899/4885KDM1A 1930/4885

“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.