SCHEMBL25359232

SCHEMBL25359232

N#Cc1cccc(C2CC(F)(F)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
DRD3 P35462 11/20 0.54
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
GSK3B P49841 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL30125283 0.81 DRD2 (0.47) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL28958186 0.81 DRD2 (0.47) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL4875328 0.80 DRD2 (0.67) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL31523251 0.77 DRD2 (0.73) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL2227921 0.75 DRD2 (0.71) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL14869628 0.75 DRD2 (0.76) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL4071635 0.74 DRD2 (0.59) DRD2DRD3CYP2D6TSHRNFKB1
Hydrochloric Acid SCHEMBL31210148 0.74 DRD2 (0.73) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL31585242 0.74 DRD3 (0.55) DRD2DRD3CYP2D6TSHRNFKB1
SCHEMBL31083652 0.74 DRD2 (0.47) DRD2DRD3CYP2D6TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US disclosed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 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-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DRD2 4638/4885DRD3 4651/4885CYP2D6 4552/4885

“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.