SCHEMBL21363396

SCHEMBL21363396

CC(CBr)C[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
ADRB2 P07550 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
GABBR2 O75899 2/20 0.35
GABBR1 Q9UBS5 2/20 0.35
FFAR2 O15552 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL21363635 0.81 AOC3 (0.47) AOC3SLC6A4SLC6A3LMNAMEN1
SCHEMBL12243879 0.80 AOC3 (0.53) AOC3ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL28036348 0.80 AOC3 (0.52) AOC3ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL6280792 0.80 AOC3 (0.52) AOC3ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL7779197 0.80 AOC3 (0.52) AOC3ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL29700206 0.80 AOC3 (0.55) AOC3ADRB2GAACYP1A2CYP2D6
SCHEMBL21353865 0.79 AOC3 (0.44) AOC3SLC6A2SLC6A4SLC6A3GAA
SCHEMBL21353864 0.79 AOC3 (0.44) AOC3SLC6A2SLC6A4SLC6A3GAA
SCHEMBL29571171 0.77 AOC3 (0.55) AOC3ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL9353554 0.74 AOC3 (0.44) AOC3ADRB2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (5 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 AOC3 619/4885ADRB2 425/4885SLC6A2 1407/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 AOC3 699/4885ADRB2 370/4885SLC6A2 1619/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 AOC3 619/4885ADRB2 425/4885SLC6A2 1407/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 AOC3 699/4885ADRB2 370/4885SLC6A2 1619/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 AOC3 699/4885ADRB2 370/4885SLC6A2 1619/4885

“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.