SCHEMBL25453136

SCHEMBL25453136

CNC1CCN(c2ccc(C(C)C)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.42
SUV39H2 Q9H5I1 2/20 0.40
ZAP70 P43403 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
SOS1 Q07889 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
PANK3 Q9H999 1/20 0.38
NPY5R Q15761 1/20 0.38
EGFR P00533 1/20 0.37
ACACB O00763 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
SCHEMBL25453135 0.84 HTT (0.45) MAPTSMN1; SMN2MEN1HTTKMT2A
SCHEMBL4167396 0.83 MAPT (0.56) SUV39H2MAPTSMN1; SMN2MEN1HTT
SCHEMBL25453972 0.82 HTR6 (0.44) HRH4SUV39H2MAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4185135 0.82 MAPT (0.54) SUV39H2MAPTSMN1; SMN2MEN1HTT
SCHEMBL25453138 0.80 CDK1 (0.40) MAPTSMN1; SMN2MEN1HTTKMT2A
SCHEMBL21736790 0.80 MAPT (0.45) MAPTSMN1; SMN2SOS1MEN1HTT
SCHEMBL25453962 0.79 BPTF (0.41) SUV39H2MAPTSMN1; SMN2LMNAALOX12
SCHEMBL15131226 0.79 MEN1 (0.47) MAPTSMN1; SMN2MEN1HTTKMT2A
SCHEMBL23328985 0.79 HRH3 (0.47) HRH4MAPTSMN1; SMN2HTTLMNA
SCHEMBL25453140 0.78 AVPR2 (0.44) HTTACACB

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE HRH4 121/4885SUV39H2 635/4885ZAP70 647/4885

“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.