SCHEMBL25635682

SCHEMBL25635682

COC(=O)[C@H]1C(=O)C[C@@H](C)N1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.57
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
HCRTR2 O43614 1/20 0.42
CPB1 P15086 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL29440145 1.00 HTR2C (0.57) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL29012379 1.00 HTR2C (0.57) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL30800897 1.00 HTR2C (0.57) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL25635678 0.88 HTR2C (0.55) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL30477400 0.86 HTR2C (0.47) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL24953351 0.84 HTR2C (0.48) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL2391021 0.84 HTR2C (0.63) HTR2CCACNA1GCACNA1HCACNA1INPC1
SCHEMBL25635525 0.84 HTR2C (0.63) HTR2CCACNA1GCACNA1HCACNA1INPC1
SCHEMBL29012355 0.83 HTR2C (0.47) HTR2CHTTMITFMAPTCACNA1G
SCHEMBL4052931 0.83 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1INPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
EP-4247801-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
EP-4200295-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-06-28 EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
CN-116249697-A Bicycloheptane pyrrolidine orexin receptor agonists 默沙东有限责任公司 2023-06-09 CN disclosed
WO-2022109117-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2022040070-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 WO disclosed
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 US 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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 HTR2C 61/4885HTT 155/4885MITF 837/4885
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, OXTR HTR2C 50/4885HTT 150/4885MITF 574/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 HTR2C 63/4885HTT 111/4885MITF 752/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 HTR2C 63/4885HTT 111/4885MITF 752/4885

“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.