SCHEMBL20124819

SCHEMBL20124819

Nc1ccc(N2CCN(CC(F)(F)F)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.49
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
RET P07949 1/20 0.41
KMT2A Q03164 1/20 0.40
OGA O60502 1/20 0.40
DHFR P00374 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
DRD4 P21917 4/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39

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
SCHEMBL31216500 1.00 HPGDS (0.49) HPGDSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23612145 0.85 GRIN2D (0.43) HPGDSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29988378 0.85 GRIN2D (0.43) HPGDSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18086473 0.82 DRD2 (0.54) HPGDSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19954287 0.82 HPGDS (0.46) HPGDSRETKMT2ASMN1; SMN2LMNA
SCHEMBL29499599 0.82 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.82 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1682870 0.80 GAA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21419341 0.79 KMT2A (0.49) HPGDSRETKMT2ASMN1; SMN2LMNA
SCHEMBL24215682 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP 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 HPGDS 200/4885GRIN2D 4551/4885GRIN3B 2364/4885

“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.