SCHEMBL22869686

SCHEMBL22869686

COc1ccc(NC(=O)[C@H]2CC[C@@H](n3c(=O)[nH]c4ccc(F)cc43)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.45
PLD2 O14939 4/20 0.45
PLD1 Q13393 4/20 0.45
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
PGR P06401 4/20 0.43
LMNA P02545 1/20 0.43
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
TP53 P04637 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
SCHEMBL30870356 1.00 POLB (0.48) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL28503359 1.00 POLB (0.48) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL22869425 0.93 HSD11B1 (0.49) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL28500779 0.93 HSD11B1 (0.49) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL30870157 0.93 HSD11B1 (0.49) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL22869755 0.91 HSD11B1 (0.56) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL30870121 0.91 HSD11B1 (0.56) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL28509295 0.91 HSD11B1 (0.56) POLBHPGDHSD11B1PLD2PLD1
SCHEMBL22869396 0.88 HTT (0.49) HPGDHSD11B1PLD2PLD1CHRM1
SCHEMBL28499858 0.88 HTT (0.49) HPGDHSD11B1PLD2PLD1CHRM1

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-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2021-01-07 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 (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-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP4X1, CYP11B2 POLB 3729/4885HPGD 1382/4885HSD11B1 256/4885

“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.