SCHEMBL3288161

SCHEMBL3288161

Cc1ccc(C2CC(=O)C2(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
SIRT1 Q96EB6 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 4/20 0.36
GAA P10253 2/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10746143 0.82 CYP2C19 (0.49) ALDH1A1CYP2C19MAP1LC3BNPSR1GAA
SCHEMBL10750020 0.82 LIG1 (0.46) ALDH1A1MEN1KMT2AMAP1LC3BHTT
SCHEMBL10747925 0.82 KDM1A (0.50) KMT2ACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL6320806 0.79 MAPT (0.51) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL28427733 0.78 CYP3A4 (0.33) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL25025889 0.78 CYP3A4 (0.52) MEN1KMT2ACYP3A4MAOBCYP2D6
SCHEMBL26976788 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL19862624 0.72 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL26976870 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL20707753 0.72 MAOB (0.45) ALDH1A1MEN1KMT2ACYP3A4CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885MEN1 2199/4885KMT2A 3772/4885
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A ALDH1A1 244/4885MEN1 2297/4885KMT2A 2189/4885

“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.