SCHEMBL21790483

SCHEMBL21790483

CCCC(C)(C)N[C@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA1A P35348 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1F O60840 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH1 P35367 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
RIPK1 Q13546 2/20 0.43
SLC6A4 P31645 2/20 0.42
CYP3A4 P08684 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL21790482 1.00 OPRK1 (0.44) OPRK1CHRM2CHRM1ADRA1ASLC6A3
Hydrochloric Acid SCHEMBL11007729 0.85 POLB (0.42) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL14469645 0.85 OPRK1 (0.47) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL28170722 0.79 POLB (0.45) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL21799494 0.77 TAAR1 (0.40) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL2622208 0.76 CHRM2 (0.59) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL8260622 0.76 CHRM2 (0.59) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL2622209 0.76 CHRM2 (0.59) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL19616773 0.75 CYP3A4 (0.47) OPRK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL27835925 0.75 AR (0.39) OPRK1CHRM2CHRM1ADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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 (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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 OPRK1 1646/4885CHRM2 284/4885CHRM1 186/4885

“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.