SCHEMBL24725847

SCHEMBL24725847

O=C1CC(c2ccc(F)c(F)c2)CN1Cc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
PDE4A P27815 7/20 0.50
PDE4B Q07343 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
DPP4 P27487 2/20 0.44

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
SCHEMBL20475319 0.89 HPGD (0.53) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725921 0.86 ALDH1A1 (0.55) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725849 0.86 HPGD (0.59) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725850 0.85 HPGD (0.55) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725913 0.84 HPGD (0.58) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725846 0.82 PDE4A (0.40) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725920 0.82 GRIN1 (0.43) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL28658600 0.80 HPGD (0.81) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2945938 0.79 TSHR (0.42) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL663026 0.77 CYP19A1 (0.40) HPGDTSHRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same YALE UNIVERSITY (US) 2022-12-06 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 (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-11518754-B2 Radiolabeled pharmaceuticals and methods of making and using same SLC18A2, SLC18A3, SLC1A2 HPGD 4122/4885TSHR 1884/4885PDE4A 1033/4885

“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.