SCHEMBL16702181

SCHEMBL16702181

COC(=O)c1ccc(OCCNCc2ccccc2F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 1/20 0.42
ATM Q13315 1/20 0.42
PDE4D Q08499 1/20 0.42
HIF1A Q16665 1/20 0.42
MPO P05164 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL16702793 0.87 MEN1 (0.54) KMT2AMEN1LMNAHTR6KDM4E
SCHEMBL16709786 0.82 L3MBTL1 (0.50) KMT2AMEN1TAAR1RAB9ALMNA
SCHEMBL16709757 0.82 MEN1 (0.50) SCN8AKMT2AMEN1RAB9AHTR6
SCHEMBL16709728 0.78 KMT2A (0.46) SCN8AKMT2AMEN1TAAR1RAB9A
SCHEMBL17844288 0.78 LNPEP (0.43) KMT2AMEN1RAB9ALMNATSHR
SCHEMBL25314928 0.77 RAB9A (0.47) KMT2ARAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL4841298 0.77 LMNA (0.47) RAB9ALMNAKDM4EALDH1A1ATM
SCHEMBL15295180 0.77 PDE4D (0.53) RAB9ALMNAKDM4EPDE4DMAPK1
SCHEMBL25315062 0.77 MAPT (0.50) KMT2ARAB9ALMNAL3MBTL1KDM4E
SCHEMBL29524525 0.77 RAB9A (0.47) KMT2ARAB9ALMNAL3MBTL1ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 US disclosed
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
CN-107531721-B Fused tricyclic pyrazole derivatives for modulating farnesoid X receptors 诺华股份有限公司 2020-07-17 CN disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US disclosed
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 EP disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
WO-2016174616-A1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-03 WO disclosed
WO-2016174616-A1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-03 WO disclosed
EP-3065738-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-09-14 EP disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 WO disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 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 (5 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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 SCN8A 3674/4885KMT2A 4283/4885MEN1 2907/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SCN8A 3674/4885KMT2A 4283/4885MEN1 2907/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SCN8A 3674/4885KMT2A 4283/4885MEN1 2907/4885
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 SCN8A 3674/4885KMT2A 4283/4885MEN1 2907/4885
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 SCN8A 3674/4885KMT2A 4283/4885MEN1 2907/4885

“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.