SCHEMBL24310013

SCHEMBL24310013

CN1CCCC(c2cccc(O)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.70
DRD4 P21917 5/20 0.70
DRD2 P14416 5/20 0.70
SIGMAR1 Q99720 3/20 0.70
NFKB1 P19838 1/20 0.70
PRCP P42785 1/20 0.70
EBP Q15125 1/20 0.70
HTR1A P08908 3/20 0.58
DRD1 P21728 3/20 0.58
DRD5 P21918 3/20 0.58

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
SCHEMBL7354726 1.00 DRD3 (0.70) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL29567496 1.00 DRD3 (0.70) DRD3DRD4DRD2SIGMAR1NFKB1
Iodide SCHEMBL29566919 0.98 DRD3 (0.68) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL11269553 0.83 DRD3 (0.50) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL29786277 0.83 DRD3 (0.58) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL23123632 0.83 DRD3 (0.58) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL11888476 0.83 DRD3 (0.69) DRD3DRD4DRD2SIGMAR1NFKB1
SCHEMBL19122810 0.83 DRD3 (0.69) DRD3DRD4DRD2SIGMAR1NFKB1
Preclamol SCHEMBL872804 0.82 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1NFKB1
Preclamol SCHEMBL29414104 0.82 DRD3 (1.00) DRD3DRD4DRD2SIGMAR1NFKB1

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-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
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 DRD3 4541/4885DRD4 4670/4885DRD2 4505/4885

“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.