SCHEMBL24969798

SCHEMBL24969798

CC(CCC(C)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
DAO P14920 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ACP3 P15309 2/20 0.42
CES2 O00748 1/20 0.42
SLC6A4 P31645 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A2 P23975 2/20 0.40
EPHX1 P07099 1/20 0.40
RIPK1 Q13546 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
SCHEMBL20821033 0.92 IDO1 (0.51) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL22922590 0.91 IDO1 (0.43) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL20821032 0.87 SLC7A5 (0.50) HTR2AHTR2BHTR2CRIPK1
SCHEMBL7929105 0.85 PNMT (0.50) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL6700680 0.83 PNMT (0.53) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL1213326 0.82 EPHX1 (0.49) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL10274869 0.81 PNMT (0.53) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL25894263 0.81 PNMT (0.53) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL24779791 0.81 PNMT (0.53) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL21323231 0.80 HTR2A (0.44) PNMTHTR2AHTR2BHTR2CDAO

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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PNMT 4566/4885HTR2A 1988/4885HTR2B 3364/4885

“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.