SCHEMBL21660809

SCHEMBL21660809

COC(=O)C1CCN1c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ACACB O00763 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SCN9A Q15858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
FPR2 P25090 1/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACKR3 P25106 1/20 0.38

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
SCHEMBL21863999 0.89 ALDH1A1 (0.43) GAARAB9AALDH1A1SCN9ATDP1
SCHEMBL21660816 0.83 AR (0.44) ALDH1A1L3MBTL1
SCHEMBL21660807 0.82 HTT (0.43) GAARAB9ATP53L3MBTL1NPC1
SCHEMBL21660803 0.82 KDM4E (0.44) RAB9ATP53ALDH1A1L3MBTL1HTT
SCHEMBL21660768 0.80 SCN9A (0.43) GAASCN9AFPR2
SCHEMBL21864001 0.80 ACHE (0.36) GAARAB9AALDH1A1SCN9ANPC1
SCHEMBL21660811 0.76 HTT (0.39) GAARAB9ATP53ALDH1A1L3MBTL1
SCHEMBL21661132 0.76 OPRK1 (0.44) GAASCN9AFPR2CNR2
SCHEMBL21864004 0.74 ALDH1A1 (0.41) RAB9ATP53ALDH1A1HTT
SCHEMBL21864003 0.71 THRB (0.40) ALDH1A1POLBHTT

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-3831834-A1 BORATE OF AZETIDINE DERIVATIVE Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-06-09 EP disclosed
US-20210163507-A1 BORATE OF AZETIDINE DERIVATIVE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-06-03 US disclosed
US-11014943-B2 Azetidine derivative CHIA TAI TIANQING PHARMACEUTICAL GROUP GO., LTD. (CN) 2021-05-25 US disclosed
US-20200115392-A1 AZETIDINE DERIVATIVE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-04-16 US disclosed
WO-2020025037-A1 BORATE OF AZETIDINE DERIVATIVE 正大天晴药业集团股份有限公司 2020-02-06 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 (3 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-11014943-B2 Azetidine derivative BCL9, MCL1, BCL9L GAA 839/4885RAB9A 233/4885TP53 534/4885
US-20200115392-A1 AZETIDINE DERIVATIVE BCL9, MCL1, BCL9L GAA 839/4885RAB9A 233/4885TP53 534/4885
US-20210163507-A1 BORATE OF AZETIDINE DERIVATIVE BCL9, BCL6, BCL6B GAA 936/4885RAB9A 137/4885TP53 1153/4885

“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.