SCHEMBL19207112

SCHEMBL19207112

COC(=O)c1nn(C)nc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
ELANE P08246 7/20 0.41
PLAU P00749 3/20 0.37
F2 P00734 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
KDM4C Q9H3R0 1/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1930028 0.85 NPSR1 (0.56) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930032 0.78 NPSR1 (0.48) NPSR1ELANEPLAUF2KDM4E
SCHEMBL17997398 0.78 NPSR1 (0.48) NPSR1ELANEPLAUF2KDM4E
SCHEMBL25573101 0.77 IKBKB (0.31) KMT2A
SCHEMBL18838974 0.77 MCL1 (0.31) ALDH1A1TSHRNPC1
SCHEMBL31274329 0.76 BAZ2B (0.38) KDM4EGAAALDH1A1NPC1TP53
SCHEMBL1930473 0.76 NPSR1 (0.46) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930564 0.74 NPSR1 (0.45) NPSR1ELANEPLAUF2KDM4E
SCHEMBL1930739 0.73 NPSR1 (0.43) NPSR1ELANEPLAUF2KDM4E
SCHEMBL31274309 0.72

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
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2022-12-01 US disclosed
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2022-09-06 US disclosed
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2021-07-15 US disclosed
US-10894789-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2021-01-19 US disclosed
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. 2019-05-09 US disclosed
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed
CN-102408385-A Preparation method of 2-substituted-2H-1, 2, 3-triazole derivative SUZHOU ABA CHEMICALS CO LTD 2012-04-11 CN 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 (6 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-10894789-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NPSR1 4/4885ELANE 4557/4885PLAU 3871/4885

“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.