SCHEMBL21393419

SCHEMBL21393419

O[C@H](CCCBr)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
SIGMAR1 Q99720 7/20 0.43
DRD2 P14416 6/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC18A3 Q16572 1/20 0.41
DRD3 P35462 4/20 0.40
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
Fluorobenzene SCHEMBL7807000 0.87 SLC18A3 (0.46) AOC3SIGMAR1DRD2KDM4ESLC18A3
SCHEMBL7377106 0.83 MEN1 (0.45) AOC3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL5864161 0.81 CYP19A1 (0.47) DRD3LMNASLC6A3
SCHEMBL13786104 0.81 AOC3 (0.48) AOC3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13886109 0.81 AOC3 (0.48) AOC3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL13786083 0.81 AOC3 (0.48) AOC3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL4433043 0.81 AOC3 (0.48) AOC3SIGMAR1DRD2KDM4ECYP1A2
SCHEMBL6283399 0.80 AOC3 (0.52) AOC3KDM4EMEN1KMT2ASLC6A4
SCHEMBL16337268 0.80 AOC3 (0.52) AOC3KDM4EMEN1KMT2ASLC6A4
SCHEMBL4432950 0.80 AOC3 (0.52) AOC3KDM4EMEN1KMT2ASLC6A4

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 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 (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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 AOC3 619/4885SIGMAR1 88/4885DRD2 1169/4885

“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.