SCHEMBL24309751

SCHEMBL24309751

CN1CCN(c2cccc(O)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
ADRA2C P18825 1/20 0.49
DRD4 P21917 3/20 0.45
HTR2A P28223 2/20 0.45
DRD1 P21728 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL2937385 0.83 KEAP1 (0.42) EGFRMAPTMAPK1KMT2AL3MBTL1
SCHEMBL13382891 0.81 DRD2 (0.53) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL1308333 0.81 ADRA2C (0.60) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL1865040 0.80 DRD2 (0.51) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL27921167 0.79 HPGD (0.51) LMNAMAPTMAPK1KMT2AL3MBTL1
SCHEMBL24309229 0.79 DRD2 (0.69) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL18756992 0.78 HTR1A (0.53) DRD2DRD3ADRA2CDRD4HTR2A
Phenol SCHEMBL1308949 0.75 ADRA2C (0.53) DRD2DRD3ADRA2CDRD4HTR2A
Lithium Ion SCHEMBL31185842 0.74 TTR (0.46) DRD2DRD3ADRA2CDRD4HTR2A
SCHEMBL31186073 0.73 KMT2A (0.51) DRD2DRD3ADRA2CHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DRD2 4505/4885DRD3 4541/4885ADRA2C 1311/4885

“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.