SCHEMBL26052153

SCHEMBL26052153

CC(C)c1cnn2cc(CN3CCOCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 4/20 0.44
HSP90AA1 P07900 2/20 0.43
LRRK2 Q5S007 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
HTT P42858 1/20 0.38
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KCNJ1 P48048 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 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
SCHEMBL26671829 0.86 DRD4 (0.44) HRH3HSP90AA1DRD2DRD4DRD3
SCHEMBL26766327 0.83 HRH3 (0.47) MAPTSMN1; SMN2HRH3NOS3NOS1
SCHEMBL26067187 0.77 ALDH1A1 (0.40) MAPTSMN1; SMN2LRRK2HTTALDH1A1
SCHEMBL31596053 0.77 HRH3 (0.44) MAPTSMN1; SMN2HRH3DRD2DRD4
SCHEMBL26052011 0.76 MEN1 (0.32) SMN1; SMN2
SCHEMBL31487745 0.73 PLAT (0.43) SMN1; SMN2HRH3LRRK2DRD2DRD4
SCHEMBL26052008 0.72 PDE1A (0.31) HSP90AA1
SCHEMBL26052151 0.72 GSR (0.39) HRH3ALDH1A1
SCHEMBL26671795 0.70 HRH3 (0.39) HRH3
SCHEMBL26671801 0.70 NR3C1 (0.32) HSP90AA1

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-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 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-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 MAPT 2359/4885SMN1; SMN2 1592/4885HRH3 839/4885

“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.