SCHEMBL2817067

SCHEMBL2817067

Cn1cc(-c2ccccc2)c(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
JMJD6 Q6NYC1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
KMT2A Q03164 1/20 0.40
PIN1 Q13526 1/20 0.40
PTGIR P43119 1/20 0.40
KDM4E B2RXH2 2/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 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
SCHEMBL28427348 0.98 HCRTR1 (0.42) HCRTR1HCRTR2JMJD6IRAK4KMT2A
SCHEMBL19207108 0.86 MAPT (0.41) HCRTR1KMT2AKDM4EALDH1A1LMNA
SCHEMBL14335004 0.86 IRAK4 (0.51) HCRTR1HCRTR2JMJD6IRAK4KMT2A
SCHEMBL19207038 0.85 MKNK1 (0.47) IRAK4ALDH1A1TSHR
Lithium Ion SCHEMBL20774400 0.85 HCRTR1 (0.40) HCRTR1HCRTR2JMJD6IRAK4KMT2A
SCHEMBL1257163 0.85 CSNK1D (0.51) HCRTR1KMT2AALDH1A1
SCHEMBL19207144 0.85 SMN1; SMN2 (0.47) HCRTR1HCRTR2KMT2AKDM4EALDH1A1
SCHEMBL19207137 0.84 PIN1 (0.49) HCRTR1JMJD6KMT2APIN1KDM4E
SCHEMBL20027674 0.83 MAPT (0.51) JMJD6KMT2AKDM4EALDH1A1HPGD
SCHEMBL10432371 0.83 PIN1 (0.47) HCRTR1PIN1

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 40 patents — showing the first 20. 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-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 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
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2022-08-11 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 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-20160046640-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
EP-2970313-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP disclosed
CN-105209468-A Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-11-19 US disclosed
US-9062078-B2 Substituted 7-azabicyles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
WO-2014159591-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 WO disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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 (10 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-20160046640-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, HTR7 HCRTR1 2/4885HCRTR2 1/4885JMJD6 1695/4885
US-11434236-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885HCRTR2 1/4885JMJD6 3267/4885
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R HCRTR1 2/4885HCRTR2 1/4885JMJD6 2730/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG HCRTR1 118/4885HCRTR2 218/4885JMJD6 1933/4885
US-20220380359-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885HCRTR2 1/4885JMJD6 3267/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 HCRTR1 1285/4885HCRTR2 1361/4885JMJD6 4147/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 HCRTR1 4107/4885HCRTR2 3853/4885JMJD6 3736/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885HCRTR2 1/4885JMJD6 3267/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885JMJD6 3255/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R HCRTR1 2/4885HCRTR2 1/4885JMJD6 3024/4885

“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.