SCHEMBL5517832

SCHEMBL5517832

OCC1CCCC(c2ccccc2)N1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 6/20 0.40
TRPM4 Q8TD43 2/20 0.39
DPP4 P27487 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5513842 1.00 TRPM5 (0.40) TRPM5TRPM4DPP4SLC18A3SIGMAR1
SCHEMBL5513845 1.00 TRPM5 (0.40) TRPM5TRPM4DPP4SLC18A3SIGMAR1
SCHEMBL5512850 0.89 TRPM5 (0.42) TRPM5TRPM4DPP4SLC18A3SIGMAR1
SCHEMBL5512851 0.89 TRPM5 (0.42) TRPM5TRPM4DPP4SLC18A3SIGMAR1
SCHEMBL2578504 0.83 TRPM5 (0.39) TRPM5TRPM4MEN1KMT2A
SCHEMBL4378522 0.82 HTR2C (0.39)
SCHEMBL14065400 0.80 MEN1 (0.47) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL4865057 0.80 MEN1 (0.47) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL6924404 0.80 MEN1 (0.47) SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL4373206 0.79 HTR2C (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061097-A Novel gamma secretase inhibitors SCHERING CORP (US) 2007-10-24 CN 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
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20060100427-A1 Novel Gamma Secretase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2006-05-11 US disclosed
CN-1628100-A Gamma-secretase inhibitors SCHERING CORP (US) 2005-06-15 CN disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
EP-1472223-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2004-11-03 EP disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040048848-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2004-03-11 US disclosed
WO-2003066592-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-08-14 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 (4 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 TRPM5 3357/4885TRPM4 4325/4885DPP4 2537/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 TRPM5 4378/4885TRPM4 4613/4885DPP4 1251/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 TRPM5 4395/4885TRPM4 4512/4885DPP4 973/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP TRPM5 3704/4885TRPM4 4286/4885DPP4 1248/4885

“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.