SCHEMBL29587180

SCHEMBL29587180

COC(=O)C1C(OCc2ccccc2)C[C@@H](C)N1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.57
HTR2C P28335 1/20 0.54
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
CPB1 P15086 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KLK7 P49862 2/20 0.43
KLK5 Q9Y337 1/20 0.43
HTT P42858 2/20 0.41

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
SCHEMBL29587713 0.88 HTR2C (0.59) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL29587401 0.82 HCRTR2 (0.69) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL29979939 0.81 HTR2C (0.58) HTR2CCACNA1GCACNA1HCACNA1ICPB1
SCHEMBL17234175 0.81 HTR2C (0.58) HTR2CCACNA1GCACNA1HCACNA1ICPB1
SCHEMBL30800900 0.80 HCRTR2 (0.60) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL29587569 0.80 HCRTR2 (0.60) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL22969736 0.79 HCRTR2 (0.40) HCRTR2HTR2CCPB1CYP2C9CYP2C19
SCHEMBL22321336 0.78 HCRTR2 (0.49) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL24589437 0.78 KLK7 (0.53) CYP2C19ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2389760 0.77 HTR2C (0.64) HCRTR2HTR2CCACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
EP-3924058-B1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-07 EP disclosed
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-05-27 US disclosed
EP-4010314-B1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-02-28 EP disclosed
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
EP-4255429-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-11 EP disclosed
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2023-01-19 US disclosed
WO-2022119888-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-09 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 (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-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HTR2C 25/4885CACNA1G 805/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HTR2C 34/4885CACNA1G 1659/4885
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HTR2C 41/4885CACNA1G 1873/4885
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HTR2C 41/4885CACNA1G 1873/4885

“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.