SCHEMBL22829693

SCHEMBL22829693

C[n+]1ccc(C(N)=Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.52
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
SLC6A4 P31645 1/20 0.42
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
AKR1C3 P42330 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
ACHE P22303 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ESR1 P03372 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM1A O60341 1/20 0.36
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12449789 0.82 AKR1C1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL1567874 0.82 AKR1C1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL911941 0.82 AKR1C1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL22829697 0.81 CHAT (0.55) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL14564630 0.76 MAPT (0.56) ALDH1A1TSHRHDAC8ACHEMAPT
SCHEMBL7772471 0.75 CHAT (0.48) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL8803174 0.75 CYP19A1 (0.50) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL10439735 0.73 CYP1B1 (0.49) CTDSP1ALDH1A1AKR1C3AKR1C1ESR1
SCHEMBL8923931 0.73 CYP1B1 (0.49) ALDH1A1TSHRESR1GLAMAPT
SCHEMBL8550464 0.73 PTGS2 (0.49) ALDH1A1MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629128-B2 Compound and dimer complex embodiments for supramolecular sensing UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2023-04-18 US disclosed
US-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2020-12-31 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 (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-11629128-B2 Compound and dimer complex embodiments for supramolecular sensing OPRM1, CNR2, CNR1 CHAT 1177/4885SLC22A2 4673/4885SLC22A1 4740/4885
US-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING OPRM1, CNR2, CNR1 CHAT 1177/4885SLC22A2 4673/4885SLC22A1 4740/4885

“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.