SCHEMBL24974306

SCHEMBL24974306

C[C@H]1C[C@H](OCc2ccc(F)c(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.46
SIGMAR1 Q99720 13/20 0.44
TMEM97 Q5BJF2 7/20 0.44
DRD3 P35462 3/20 0.43
DRD5 P21918 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.38

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
SCHEMBL24973975 1.00 DRD4 (0.46) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL24973996 0.84 DRD4 (0.44) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL26933298 0.83 GRM2 (0.44) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL26933291 0.83 GRM2 (0.44) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL24973824 0.83 MAOB (0.36) DRD4SIGMAR1TMEM97MAOB
SCHEMBL21503609 0.83 DRD4 (0.44) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL24973973 0.83 DRD4 (0.44) DRD4SIGMAR1TMEM97DRD3DRD5
Hydrochloric Acid SCHEMBL21491496 0.82 GRM2 (0.43) DRD4SIGMAR1TMEM97DRD3DRD5
Hydrochloric Acid SCHEMBL21491497 0.82 GRM2 (0.43) DRD4SIGMAR1TMEM97DRD3DRD5
Hydrochloric Acid SCHEMBL30636343 0.82 GRM2 (0.43) DRD4SIGMAR1TMEM97DRD3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US 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 (2 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP DRD4 4100/4885SIGMAR1 4583/4885TMEM97 4626/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DRD4 4100/4885SIGMAR1 4583/4885TMEM97 4626/4885

“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.