SCHEMBL8260723

SCHEMBL8260723

CC(C)N1CCCC(N2CCCC(C(N)=O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
LMNA P02545 2/20 0.40
DPP4 P27487 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
KDM2B Q8NHM5 3/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7701418 0.87 KMT2A (0.47) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL12258721 0.87 KMT2A (0.47) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL12258852 0.87 KMT2A (0.47) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL24869974 0.80 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL8439278 0.80 ALDH1A1 (0.51) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL2449861 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL4034725 0.78 ALDH1A1 (0.51) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL21210800 0.78 TLR9 (0.35) KMT2AALDH1A1LMNAMEN1
SCHEMBL8257116 0.78 TLR9 (0.35) KMT2AALDH1A1LMNAMEN1
SCHEMBL19699825 0.78 TLR9 (0.35) KMT2AALDH1A1LMNAMEN1

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 5 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-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-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 KMT2A 3318/4885ALDH1A1 4012/4885MAPK1 3535/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KMT2A 2232/4885ALDH1A1 2742/4885MAPK1 3625/4885

“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.