SCHEMBL6784593

SCHEMBL6784593

CN1CCC[C@H](C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 3/20 0.31
DRD3 P35462 3/20 0.30
CHRM2 P08172 2/20 0.30
ADRA2A P08913 2/20 0.30
CHRM1 P11229 2/20 0.30
DRD1 P21728 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
ADRA1A P35348 2/20 0.30
OPRM1 P35372 2/20 0.30
KCNH2 Q12809 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
ABCB11 O95342 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL18923903 1.00 ATM (0.49) ATML3MBTL1CYP2D6CYP3A4SMN1; SMN2
SCHEMBL2612760 1.00 ATM (0.49) ATML3MBTL1CYP2D6CYP3A4SMN1; SMN2
SCHEMBL17148645 0.93 ATM (0.43) ATML3MBTL1CYP2D6CYP3A4SLC6A2
SCHEMBL14093037 0.85 NCF1 (0.37) ATML3MBTL1CYP2D6KCNH2HRH3
SCHEMBL7589847 0.85 NCF1 (0.37) ATML3MBTL1CYP2D6KCNH2HRH3
SCHEMBL11989609 0.85 NCF1 (0.37) ATML3MBTL1CYP2D6KCNH2HRH3
SCHEMBL24663753 0.82 ATM (0.41) ATML3MBTL1
SCHEMBL23425965 0.82 ATM (0.54) ATML3MBTL1CYP2D6CYP3A4SMN1; SMN2
SCHEMBL13881895 0.82 ATM (0.54) ATML3MBTL1CYP2D6CYP3A4SMN1; SMN2
SCHEMBL23467553 0.82 ATM (0.54) ATML3MBTL1CYP2D6CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-06-29 US disclosed
US-11001861-B2 Polynucleotides encoding galactose-1-phosphate uridylyltransferase for the treatment of galactosemia type 1 MODERNATX, INC. (US) 2021-05-11 US disclosed
US-20190300906-A1 POLYNUCLEOTIDES ENCODING GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE FOR THE TREATMENT OF GALACTOSEMIA TYPE 1 MODERNATX, INC. (US) 2019-10-03 US disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (5 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 ATM 614/4885L3MBTL1 4353/4885CYP2D6 4573/4885
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ATM 4707/4885L3MBTL1 743/4885CYP2D6 13/4885
US-11001861-B2 Polynucleotides encoding galactose-1-phosphate uridylyltransferase for the treatment of galactosemia type 1 GALNT1, GALNT3, B4GALT1 ATM 4880/4885L3MBTL1 101/4885CYP2D6 2435/4885
US-20190300906-A1 POLYNUCLEOTIDES ENCODING GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE FOR THE TREATMENT OF GALACTOSEMIA TYPE 1 GALNT1, GALNT3, B4GALT1 ATM 4880/4885L3MBTL1 101/4885CYP2D6 2435/4885
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC ATM 3547/4885L3MBTL1 2575/4885CYP2D6 880/4885

“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.