SCHEMBL8256972

SCHEMBL8256972

CC(=O)NC1CCN(C2CCN(C(C)C)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.53
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL24941854 0.88 HRH3 (0.51) HRH3ALDH1A1CYP2D6KDM5A
SCHEMBL8259460 0.85 HRH3 (0.47) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL8263831 0.85 HRH3 (0.50) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL12258709 0.85 HRH3 (0.50) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL12258724 0.85 HRH3 (0.50) HRH3ALDH1A1CYP2D6CA1CA2
SCHEMBL12026487 0.85 ALDH1A1 (0.54) HRH3ALDH1A1CYP2D6
SCHEMBL25102056 0.83 HRH3 (0.47) HRH3ALDH1A1
SCHEMBL8278776 0.82 SLC6A5 (0.49) ALDH1A1CA1CA2CA12CA9
SCHEMBL13207164 0.81 EPHX2 (0.50) CA1CA2CA12CA9KDM5A
SCHEMBL23166300 0.79 CA1 (0.40) HRH3CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed
WO-2020160193-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020160196-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
US-7459450-B2 Neuropeptide receptor modulators SCHERING CORPORATION (US) 2008-12-02 US disclosed
US-7459450-B2 Neuropeptide receptor modulators SCHERING CORPORATION (US) 2008-12-02 US disclosed
US-7368457-B2 Bridged N-arylsulfonylpiperidines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040229902-A1 Bridged N-arylsulfonylpiperidines as gamma-secretase inhibitors SCHERING CORPORATION 2004-11-18 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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 (3 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 789/4885ALDH1A1 4012/4885CYP2D6 3159/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 278/4885ALDH1A1 2742/4885CYP2D6 2438/4885
US-20040229902-A1 Bridged N-arylsulfonylpiperidines as gamma-secretase inhibitors BACE1, BACE2, PSEN1 HRH3 3035/4885ALDH1A1 619/4885CYP2D6 3057/4885

“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.