SCHEMBL30417093

SCHEMBL30417093

FC(F)(F)CCN1CCN(c2ccccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.60
▸ DRD3 P35462 7/20 0.60
▸ DRD1 P21728 4/20 0.60
▸ POLB P06746 2/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ HTR1A P08908 6/20 0.56
▸ HTR2A P28223 4/20 0.56
▸ HTR7 P34969 4/20 0.56
▸ ADRA2C P18825 3/20 0.56
▸ DRD5 P21918 3/20 0.56
▸ HRH1 P35367 3/20 0.56
▸ DRD4 P21917 3/20 0.56
▸ SLC6A2 P23975 2/20 0.54
▸ SLC6A4 P31645 2/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL13711971 0.85 KCNH2 (0.71) DRD2DRD3DRD1POLBKCNH2
SCHEMBL19954286 0.84 DRD2 (0.55) DRD2DRD3DRD1POLBKCNH2
SCHEMBL30416085 0.84 DRD2 (0.55) DRD2DRD3DRD1POLBKCNH2
SCHEMBL26108725 0.81 KCNH2 (0.85) DRD2DRD3DRD1POLBKCNH2
SCHEMBL4519313 0.81 KCNH2 (0.85) DRD2DRD3DRD1POLBKCNH2
SCHEMBL26107525 0.81 KCNH2 (0.85) DRD2DRD3DRD1POLBKCNH2
Hydrochloric Acid SCHEMBL11060044 0.80 POLB (0.64) DRD2DRD3DRD1POLBKCNH2
SCHEMBL11070192 0.80 KCNH2 (0.64) DRD2DRD3DRD1POLBKCNH2
SCHEMBL1307947 0.80 KCNH2 (0.64) DRD2DRD3DRD1POLBKCNH2
SCHEMBL2522222 0.80 POLB (0.64) DRD2DRD3DRD1POLBKCNH2

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 — — 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 DRD2 4335/4885DRD3 4705/4885DRD1 4589/4885

“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.

Send feedback