SCHEMBL8258141

SCHEMBL8258141

C=C(C)N1CCN(C2CCCN(C(C)C)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.39
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
VNN1 O95497 2/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL14526650 0.84 HRH3 (0.45) HRH3VNN1POLBSIGMAR1
SCHEMBL14453887 0.81 HRH3 (0.39) HRH3TLR9TLR8TLR7POLB
SCHEMBL23367198 0.80 TP53 (0.38) HRH3PHGDHMGLLPOLB
SCHEMBL12250826 0.79 MEN1 (0.40) HRH3VNN1POLBSIGMAR1
SCHEMBL1083799 0.79 MEN1 (0.40) HRH3VNN1POLBSIGMAR1
SCHEMBL12250827 0.79 MEN1 (0.40) HRH3VNN1POLBSIGMAR1
SCHEMBL8257116 0.79 TLR9 (0.35) HRH3TLR9TLR8TLR7POLB
SCHEMBL21210800 0.79 TLR9 (0.35) HRH3TLR9TLR8TLR7POLB
SCHEMBL19699825 0.79 TLR9 (0.35) HRH3TLR9TLR8TLR7POLB
SCHEMBL8255509 0.78 MEN1 (0.35) HRH3TLR9TLR8TLR7POLB

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-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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 (2 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 789/4885PHGDH 3771/4885MGLL 1279/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 278/4885PHGDH 3479/4885MGLL 1598/4885

“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.