SCHEMBL19207150

SCHEMBL19207150

Cc1cccc(-c2cn(C)nc2C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.47
MAPK14 Q16539 1/20 0.47
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
HCRTR1 O43613 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TGFBR2 P37173 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL19207143 0.82 TGFBR1 (0.43) TGFBR1MAPK14HCRTR1TGFBR2IRAK4
SCHEMBL19207002 0.81 HCRTR1 (0.47) TGFBR1HCRTR1IRAK4
SCHEMBL16340867 0.78 TGFBR1 (0.54) TGFBR1MAPK14CCR1CCR8
SCHEMBL19207096 0.78 BRD4 (0.47) HCRTR1KDM4E
SCHEMBL7911678 0.76 CCR1 (0.50) TGFBR1CCR1CCR8KDM4ETGFBR2
SCHEMBL19207065 0.75 HCRTR1 (0.42) TGFBR1HCRTR1KDM4EIRAK4
SCHEMBL2817067 0.74 HCRTR1 (0.42) HCRTR1KDM4EIRAK4
SCHEMBL19207044 0.74 BRD4 (0.41) HCRTR1KDM4E
SCHEMBL16834171 0.73 ECE1 (0.48) KDM4EIRAK4
Formamide SCHEMBL29077658 0.73 TGFBR1 (0.47) TGFBR1MAPK14CCR1CCR8

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 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885
US-20190135800-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885
US-20210214348-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 TGFBR1 589/4885MAPK14 1949/4885CCR1 1085/4885

“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.