SCHEMBL25326413

SCHEMBL25326413

FC(F)(F)c1ccc(OC2CC3(CNC3)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
LIPE Q05469 1/20 0.40
MGLL Q99685 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
SCN9A Q15858 5/20 0.35
SCN10A Q9Y5Y9 2/20 0.34

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
SCHEMBL20249242 0.86 CSF1R (0.36) LIPEMGLLP2RX3P2RX2
SCHEMBL27246537 0.86 LIPE (0.40) CHRNB2CHRNA4LIPEMGLLP2RX3
Hydrochloric Acid SCHEMBL30328348 0.85 CHRNB2 (0.42) CHRNB2CHRNA4LIPEMGLLTRPV4
Hydrochloric Acid SCHEMBL30328795 0.80 CHRNB2 (0.40) CHRNB2CHRNA4LIPEMGLLTRPV4
SCHEMBL31307974 0.79 LIPE (0.44) CHRNB2CHRNA4LIPEMGLLAXL
SCHEMBL25936181 0.79 HCRTR1 (0.34) P2RX3P2RX2SCN9A
SCHEMBL31239665 0.79 HCRTR1 (0.34) P2RX3P2RX2SCN9A
SCHEMBL21607026 0.78 HRH1 (0.47) CHRNB2CHRNA4LIPETRPV4AXL
SCHEMBL25145865 0.78 TRPV4 (0.40) TRPV4
SCHEMBL18357736 0.78 MAOA (0.41) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 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 (1 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 CHRNB2 1153/4885CHRNA4 346/4885LIPE 3975/4885

“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.