SCHEMBL22869396

SCHEMBL22869396

COc1ccc(NC(=O)[C@H]2CC[C@@H](n3c(=O)[nH]c4ccc(F)cc43)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
PLD2 O14939 5/20 0.45
PLD1 Q13393 5/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL30870207 1.00 HTT (0.49) HTTALDH1A1MTNR1AMTNR1BPLD2
SCHEMBL28499858 1.00 HTT (0.49) HTTALDH1A1MTNR1AMTNR1BPLD2
SCHEMBL22869755 0.88 HSD11B1 (0.56) ALDH1A1PLD2PLD1CHRM1DRD2
SCHEMBL30870356 0.88 POLB (0.48) PLD2PLD1CHRM1DRD2HPGD
SCHEMBL28509295 0.88 HSD11B1 (0.56) ALDH1A1PLD2PLD1CHRM1DRD2
SCHEMBL30870157 0.88 HSD11B1 (0.49) ALDH1A1PLD2PLD1CHRM1DRD2
SCHEMBL22869686 0.88 POLB (0.48) PLD2PLD1CHRM1DRD2HPGD
SCHEMBL22869425 0.88 HSD11B1 (0.49) ALDH1A1PLD2PLD1CHRM1DRD2
SCHEMBL30870121 0.88 HSD11B1 (0.56) ALDH1A1PLD2PLD1CHRM1DRD2
SCHEMBL28503359 0.88 POLB (0.48) PLD2PLD1CHRM1DRD2HPGD

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 HTT 3716/4885ALDH1A1 330/4885MTNR1A 1277/4885

“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.