SCHEMBL24725852

SCHEMBL24725852

O=C1CC(c2cccc(F)c2)CN1Cc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
PDE4A P27815 3/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRM5 P41594 1/20 0.41
LMNA P02545 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
SCHEMBL24725922 0.91 ALDH1A1 (0.57) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL20475293 0.87 ALDH1A1 (0.58) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL24725913 0.87 HPGD (0.58) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725921 0.86 ALDH1A1 (0.55) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL9845474 0.86 HPGD (0.74) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL20475314 0.85 ALDH1A1 (0.56) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL20475359 0.81 HPGD (0.43) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725853 0.81 GRIN1 (0.45) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL29833285 0.78 HPGD (0.40) ALDH1A1HPGDTSHRPDE4APDE4B
SCHEMBL28655572 0.78 HPGD (0.40) ALDH1A1HPGDTSHRPDE4APDE4B

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 ALDH1A1 2700/4885HPGD 4122/4885TSHR 1884/4885

“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.