SCHEMBL12433987

SCHEMBL12433987

C[C@H]1CN(CC[C@]2(O)CC[C@@H](NC(=O)c3cc4c(OCc5coc6cc(F)cc(F)c56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
KMT2A Q03164 2/20 0.32
HTR7 P34969 5/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MCHR1 Q99705 6/20 0.30
HTR1A P08908 2/20 0.30
DRD2 P14416 1/20 0.30
HTR6 P50406 1/20 0.30
KCNH2 Q12809 5/20 0.30
MLLT1 Q03111 1/20 0.30
DYRK1A Q13627 1/20 0.30
MCHR2 Q969V1 1/20 0.30

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
SCHEMBL2315726 1.00 SLC2A1 (0.34) SLC2A1KMT2AHTR7ALDH1A1MEN1
SCHEMBL14135073 1.00 SLC2A1 (0.34) SLC2A1KMT2AHTR7ALDH1A1MEN1
SCHEMBL6963834 0.93 SLC2A1 (0.37) SLC2A1KMT2AHTR7ALDH1A1MEN1
SCHEMBL13519625 0.92 HTR7 (0.34) KMT2AHTR7ALDH1A1MCHR1HTR1A
SCHEMBL2318639 0.92 HTR7 (0.34) KMT2AHTR7ALDH1A1MCHR1HTR1A
Hydrochloric Acid SCHEMBL914555 0.92 SLC2A1 (0.37) SLC2A1KMT2AHTR7ALDH1A1MEN1
SCHEMBL2315691 0.91
SCHEMBL14135216 0.90 KMT2A (0.38) KMT2AALDH1A1MEN1MAPTDRD2
SCHEMBL12432834 0.90 KMT2A (0.38) KMT2AALDH1A1MEN1MAPTDRD2
SCHEMBL2316234 0.90 KMT2A (0.38) KMT2AALDH1A1MEN1MAPTDRD2

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
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 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-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 SLC2A1 803/4885KMT2A 1346/4885HTR7 2127/4885

“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.