SCHEMBL29440183

SCHEMBL29440183

C[C@H](CC(=O)n1ccnc1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
CTSK P43235 3/20 0.44
HRH4 Q9H3N8 1/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 1/20 0.43
CYP3A4 P08684 1/20 0.43
CTRB1 P17538 2/20 0.43

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
SCHEMBL24461095 0.86 POLB (0.44) ATMCTSSMEN1LMNAKMT2A
SCHEMBL1710151 0.80 POLB (0.49) CTSSCTSLLMNAPOLBCTSK
SCHEMBL28473743 0.79 ATM (0.52) ATMCTSSCTSLMEN1LMNA
SCHEMBL4184372 0.77 ATM (0.58) ATMCTSSCTSLCTSKELANE
SCHEMBL265847 0.77 ATM (0.58) ATMCTSSCTSLCTSKELANE
SCHEMBL5194569 0.77 ATM (0.58) ATMCTSSCTSLCTSKELANE
SCHEMBL7466451 0.76 HTT (0.61) LMNAPOLBHRH4
SCHEMBL6841182 0.75 ATM (0.56) ATMCTSSCTSLCTSKELANE
SCHEMBL4173427 0.75 ATM (0.56) ATMCTSSCTSLCTSKELANE
SCHEMBL8972716 0.75 ATM (0.56) ATMCTSSCTSLCTSKELANE

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 6 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-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
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 ATM 4876/4885CTSS 1702/4885CTSL 2388/4885
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, OXTR ATM 4637/4885CTSS 1596/4885CTSL 1675/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 ATM 4868/4885CTSS 1662/4885CTSL 2363/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 ATM 4868/4885CTSS 1662/4885CTSL 2363/4885

“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.