SCHEMBL9891645

SCHEMBL9891645

O=C(O)[C@@H]1CCN1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
ALOX12 P18054 2/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL20458161 1.00 NOTUM (0.53) NOTUMALOX12THRBKMT2AMAPT
SCHEMBL5702089 0.83 NOTUM (0.49) NOTUMKMT2AALDH1A1SMN1; SMN2
SCHEMBL5702158 0.83 NOTUM (0.49) NOTUMKMT2AALDH1A1SMN1; SMN2
SCHEMBL13015198 0.82 GFER (0.41) NOTUMALOX12THRBKMT2AMAPT
SCHEMBL2121764 0.82 NOTUM (0.53) NOTUMKMT2AMAPTALDH1A1HPGD
SCHEMBL2121761 0.82 NOTUM (0.53) NOTUMKMT2AMAPTALDH1A1HPGD
SCHEMBL7035832 0.82 GFER (0.41) NOTUMALOX12THRBKMT2AMAPT
SCHEMBL21660768 0.80 SCN9A (0.43) NOTUMKMT2AHRH3CA1CA2
SCHEMBL20141514 0.80 NOTUM (0.48) NOTUMALOX12THRBKMT2AMAPT
SCHEMBL5394683 0.79 NOTUM (0.43) NOTUMALOX12THRBKMT2AMAPT

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 11 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
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010147791-A1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-23 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 (4 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NOTUM 2816/4885ALOX12 668/4885THRB 1041/4885
US-11014943-B2 Azetidine derivative BCL9, MCL1, BCL9L NOTUM 2946/4885ALOX12 2204/4885THRB 2841/4885
US-20200115392-A1 AZETIDINE DERIVATIVE BCL9, MCL1, BCL9L NOTUM 2946/4885ALOX12 2204/4885THRB 2841/4885
US-20210163507-A1 BORATE OF AZETIDINE DERIVATIVE BCL9, BCL6, BCL6B NOTUM 2959/4885ALOX12 2277/4885THRB 1399/4885

“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.