SCHEMBL22326358

SCHEMBL22326358

COc1cc(C(=O)CC2CCN(C)CC2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.56
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR1D P28221 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR2B P41595 1/20 0.54
HTR3A P46098 1/20 0.54
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
HSD11B1 P28845 3/20 0.45

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
SCHEMBL4052766 0.82 HTR4 (0.77) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL22326357 0.78 SIGMAR1 (0.50) HTR2B
SCHEMBL738237 0.78 HTR4 (0.53) HTR4
SCHEMBL13846068 0.77 HTR4 (0.47) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL3544670 0.76 HTR4 (0.54) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13175736 0.76 HTR4 (0.54) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13846090 0.76 HTR4 (0.54) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL15650838 0.75 HSD11B1 (0.56) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL520418 0.75 POLB (0.63) HSD11B1
SCHEMBL29531076 0.75 POLB (0.63) HSD11B1

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-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 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-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT HTR4 707/4885CHRM4 3146/4885CHRM5 4515/4885

“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.