SCHEMBL19207072

SCHEMBL19207072

Cc1nc(C(=O)O)c(-c2ncccc2C)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
HCRTR1 O43613 1/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MYC P01106 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP2 P50579 1/20 0.38
TGFBR1 P36897 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALOX5 P09917 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL17151469 0.80 HCRTR1 (0.40) HCRTR1KDM4EALDH1A1MYCCYP3A4
SCHEMBL30775129 0.78 KDM4E (0.54) HCRTR1KDM4EALDH1A1MAPTALOX5
SCHEMBL19207122 0.78 KDM4E (0.54) HCRTR1KDM4EALDH1A1MAPTALOX5
SCHEMBL269610 0.77 HPGD (0.47) HCRTR1KDM4EALDH1A1MYCMAPT
SCHEMBL6505000 0.77 KDM4E (0.41) NTRK1KDM4ETDP1ALDH1A1MYC
SCHEMBL1340615 0.75 HCRTR1 (0.41) HCRTR1MYCALOX5NPC1RAB9A
SCHEMBL80459 0.74 ALOX5 (0.61) NTRK1HCRTR1KDM4EALDH1A1ALOX5
SCHEMBL6505043 0.72 L3MBTL1 (0.46) KDM4ETDP1ALDH1A1MYCCYP3A4
SCHEMBL20773621 0.72 HCRTR1 (0.45) HCRTR1KDM4EALDH1A1TSHRALOX5
SCHEMBL16041105 0.72 HCRTR2 (0.43) HCRTR1KDM4ETDP1ALDH1A1MYC

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 15 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
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-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-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
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
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 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 (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 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 NTRK1 571/4885HCRTR1 2/4885KDM4E 2475/4885

“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.