SCHEMBL25599466

SCHEMBL25599466

COc1ccc(F)cc1-c1ncnn1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
LRRK2 Q5S007 5/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CCNT1 O60563 6/20 0.38
CDK9 P50750 6/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
MDM2 Q00987 2/20 0.37
MDM4 O15151 1/20 0.37
PIK3CA P42336 1/20 0.36
TP53 P04637 1/20 0.36
FYN P06241 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL30591217 1.00 HTR2A (0.41) HTR2AHTR2CLRRK2JAK2JAK3
SCHEMBL30591166 0.83 ALOX5AP (0.37) PIK3CA
SCHEMBL25599468 0.82 GABRG2 (0.37) HTR2AHTR2CJAK2PIK3CA
SCHEMBL25599467 0.80 IDO1 (0.39) PIK3CA
SCHEMBL25599471 0.80 SCN9A (0.35) JAK2PIK3CA
SCHEMBL30591239 0.80 SCN9A (0.35) JAK2PIK3CA
SCHEMBL25599470 0.76 SCN9A (0.35) PIK3CA
SCHEMBL8940603 0.71 ERN1 (0.51) LRRK2JAK2JAK3CCNT1CDK9
SCHEMBL30591352 0.69 S1PR1 (0.37) HTR2AHTR2CLRRK2JAK2JAK3
SCHEMBL10304909 0.67 S1PR1 (0.46) LRRK2JAK2JAK3CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS LTD. (KY) 2024-09-26 US disclosed
CN-116829559-A Carbonyl substituted diazaspiro compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-09-29 CN disclosed
WO-2023098876-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2023-06-08 WO 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-20240317748-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE SDHA, PDHA1, GLS HTR2A 3071/4885HTR2C 1821/4885LRRK2 4236/4885

“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.