SCHEMBL21753249

SCHEMBL21753249

O=C1Cc2ccc(OC(F)F)cc2CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
DRD1 P21728 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
KMT2A Q03164 2/20 0.36
EIF2AK2 P19525 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.36
ATM Q13315 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ADAM17 P78536 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL5044544 0.80 DRD2 (0.53) DRD1CHRNA7ALDH1A1HPGDMTNR1A
SCHEMBL21753264 0.78 ADRA2A (0.51) DRD1CHRNB2CHRNA7CHRNA4
SCHEMBL26922682 0.76 GFER (0.40) POLBDRD1CHRNB2CHRNA7CHRNA4
SCHEMBL31324605 0.76 CYP1A2 (0.40) POLBDRD1CHRNB2CHRNA7CHRNA4
SCHEMBL26650150 0.76 CYP1A2 (0.40) POLBDRD1CHRNB2CHRNA7CHRNA4
SCHEMBL16624042 0.75 ASIC3 (0.50) CHRNB2CHRNA7CHRNA4
SCHEMBL30468429 0.74 GAA (0.50) DRD1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL227544 0.74 GAA (0.50) DRD1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL25899778 0.74 MAOB (0.55) EIF2AK2
Hydrochloric Acid SCHEMBL17965627 0.74 ASIC3 (0.49) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 US disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO 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-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE POLB 3177/4885DRD1 2004/4885CHRNB2 484/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE POLB 3177/4885DRD1 2004/4885CHRNB2 484/4885

“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.