SCHEMBL29969899

SCHEMBL29969899

c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.74
CHRM1 P11229 5/20 0.74
HRH1 P35367 4/20 0.74
ADRA2A P08913 4/20 0.74
HTR2A P28223 4/20 0.74
CHRM2 P08172 4/20 0.74
CHRM4 P08173 4/20 0.74
CHRM5 P08912 4/20 0.74
CHRM3 P20309 4/20 0.74
DRD1 P21728 4/20 0.74
KCNH2 Q12809 4/20 0.74
DRD4 P21917 4/20 0.74
DRD3 P35462 4/20 0.74
CYP1A2 P05177 4/20 0.74
CYP2D6 P10635 4/20 0.74
HRH2 P25021 3/20 0.74
HTR1A P08908 3/20 0.74
ADRA2B P18089 3/20 0.74
ADRA2C P18825 3/20 0.74
HTR2C P28335 3/20 0.74

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
SCHEMBL167601 1.00 DRD2 (0.74) DRD2CHRM1HRH1ADRA2AHTR2A
SCHEMBL3409689 0.87 DRD2 (0.80) DRD2CHRM1HRH1ADRA2AHTR2A
Amoxapine SCHEMBL33950 0.85 DRD2 (1.00) DRD2CHRM1HRH1ADRA2AHTR2A
Amoxapine SCHEMBL29354942 0.85 DRD2 (1.00) DRD2CHRM1HRH1ADRA2AHTR2A
Amoxapine SCHEMBL29482386 0.85 DRD2 (1.00) DRD2CHRM1HRH1ADRA2AHTR2A
SCHEMBL2738976 0.85 DRD4 (0.82) DRD2CHRM1HRH1ADRA2AHTR2A
SCHEMBL2615197 0.85 DRD2 (0.74) DRD2CHRM1HRH1ADRA2AHTR2A
SCHEMBL3411889 0.85 DRD2 (0.74) DRD2CHRM1HRH1ADRA2AHTR2A
SCHEMBL3405535 0.85 DRD2 (0.63) DRD2CHRM1HRH1ADRA2AHTR2A
Amoxapine SCHEMBL29370074 0.85 DRD2 (1.00) DRD2CHRM1HRH1ADRA2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 US disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 EP disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR DRD2 2137/4885CHRM1 1197/4885HRH1 316/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 DRD2 3192/4885CHRM1 364/4885HRH1 3335/4885

“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.