SCHEMBL5519099

SCHEMBL5519099

C1CC(N2CCC3(CC2)OCCO3)CCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 0.31
TACR1 P25103 1/20 0.31
KCNH2 Q12809 1/20 0.31
PARP1 P09874 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 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
SCHEMBL25352333 0.80 HRH3 (0.45) HRH3ALDH1A1L3MBTL1L3MBTL3
SCHEMBL13754635 0.80 KMT2A (0.34) ALDH1A1LMNAL3MBTL1L3MBTL3KMT2A
SCHEMBL25187419 0.78 L3MBTL3 (0.40) HRH3ALDH1A1LMNAL3MBTL1L3MBTL3
Hydrochloric Acid SCHEMBL4261145 0.78 KMT2A (0.33) ALDH1A1LMNAKMT2ACYP2C19
Hydrochloric Acid SCHEMBL5332532 0.78 KMT2A (0.33) ALDH1A1LMNAKMT2ACYP2C19
SCHEMBL30558141 0.77 HRH3 (0.40) HRH3ALDH1A1LMNAL3MBTL1L3MBTL3
SCHEMBL16446934 0.77 HRH3 (0.39) HRH3L3MBTL1L3MBTL3TACR1KCNH2
SCHEMBL27373110 0.74 L3MBTL3 (0.36) ALDH1A1LMNAL3MBTL1L3MBTL3
SCHEMBL18923991 0.74 L3MBTL3 (0.42) HRH3ALDH1A1LMNAL3MBTL1L3MBTL3
SCHEMBL15710119 0.74 HRH3 (0.34) HRH3L3MBTL1L3MBTL3KMT2AHPGD

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 10 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-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
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 HRH3 789/4885ALDH1A1 4012/4885LMNA 1178/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 HRH3 550/4885ALDH1A1 1953/4885LMNA 1886/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 HRH3 208/4885ALDH1A1 1610/4885LMNA 1503/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 278/4885ALDH1A1 2742/4885LMNA 1578/4885

“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.