SCHEMBL25359641

SCHEMBL25359641

NCc1cccc(C2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.44
TPSAB1 Q15661 1/20 0.44
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KMO O15229 1/20 0.42

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
SCHEMBL30531117 1.00 PRMT6 (0.44) PRMT6TPSAB1PNMTENPP2DRD2
Hydrochloric Acid SCHEMBL15922780 0.98 TPSAB1 (0.43) PRMT6TPSAB1PNMTENPP2DRD2
SCHEMBL16368536 0.96 HDAC4 (0.47) PRMT6TPSAB1PNMTENPP2DRD2
SCHEMBL8287053 0.94 KMO (0.49) PRMT6TPSAB1PNMTENPP2DRD2
Hydrochloric Acid SCHEMBL16343416 0.94 HDAC4 (0.46) PRMT6TPSAB1PNMTENPP2DRD2
SCHEMBL3176710 0.92 PNMT (0.47) PRMT6TPSAB1PNMTENPP2DRD2
Hydrochloric Acid SCHEMBL13570531 0.90 PNMT (0.45) PRMT6TPSAB1PNMTENPP2DRD2
Formic Acid SCHEMBL27536013 0.90 TPSAB1 (0.45) TPSAB1ENPP2DRD2DRD3HDAC4
SCHEMBL27585548 0.85 TPSAB1 (0.43) PRMT6TPSAB1PNMTENPP2DRD2
SCHEMBL28106046 0.84 ESR2 (0.49) TPSAB1DRD2DRD3HDAC4HDAC2

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 PRMT6 2504/4885TPSAB1 2468/4885PNMT 3629/4885

“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.