SCHEMBL24497808

SCHEMBL24497808

Cc1cnc(CBr)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
OPRK1 P41145 2/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL31527644 0.81 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL3392232 0.80 NOS3 (0.46) CCR1CCR5CCR8NOS3NOS1
Hydrochloric Acid SCHEMBL20767152 0.79 NOS3 (0.38) CCR1CCR5CCR8NOS3NOS1
SCHEMBL28207201 0.79 MAPT (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL5048238 0.77 KMT2A (0.48) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL31499108 0.77 KMT2A (0.48) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL26971130 0.77 CHRM2 (0.35) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24424856 0.77 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31569231 0.76 CSNK2A1 (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21465734 0.75 DPP4 (0.33) CCR1CCR5CCR8ALDH1A1

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 CCR1 303/4885CCR5 410/4885CCR8 683/4885
US-20240002359-A1 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR CCR1 676/4885CCR5 478/4885CCR8 1863/4885

“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.