SCHEMBL24497448

SCHEMBL24497448

Clc1nc(OCc2ccccc2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
GRM5 P41594 1/20 0.42
PIN1 Q13526 2/20 0.40
MAOB P27338 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
NUDT1 P36639 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29680880 0.81 L3MBTL1 (0.46) PKMGRM5MAOBGABRG2GABRB3
SCHEMBL8509535 0.81 L3MBTL1 (0.46) PKMGRM5MAOBGABRG2GABRB3
SCHEMBL15515593 0.80 PKM (0.49) PKMGRM5MAOBNUDT1LMNA
SCHEMBL30939981 0.80 PKM (0.49) PKMGRM5MAOBNUDT1LMNA
SCHEMBL24497447 0.80 PKM (0.45) PKMGRM5PIN1NUDT1LMNA
SCHEMBL16040704 0.80 NPC1 (0.43) PKMGRM5MAOBGABRG2GABRB3
SCHEMBL30178333 0.79 PIN1 (0.43) PKMPIN1MAOBTHRATHRB
SCHEMBL23903601 0.79 PIN1 (0.43) PKMPIN1MAOBTHRATHRB
SCHEMBL31388800 0.76 MCL1 (0.53) GRM5LMNAALDH1A1
SCHEMBL21397243 0.76 MAOB (0.51) GRM5MAOBGABRG2GABRB3GABRA5

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 5 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
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
WO-2022119888-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-09 WO 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 (2 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 PKM 3139/4885GRM5 111/4885PIN1 2044/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR PKM 2769/4885GRM5 61/4885PIN1 807/4885

“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.