SCHEMBL418967

SCHEMBL418967

CC(C)(C)OC(=O)N1CCN(c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PDK2 Q15119 1/20 0.40
MAP4K4 O95819 1/20 0.39
MET P08581 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
ALK Q9UM73 3/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
CYP2C19 P33261 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3792855 0.85 TSHR (0.36) MAPTALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL418966 0.82 OPRM1 (0.50) MAPTALDH1A1LMNAGPR119
SCHEMBL30139011 0.77 BACE1 (0.45) LMNAMAP4K4CKS1BSKP1SKP2
SCHEMBL7882120 0.75 OPRM1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL422764 0.75 LMNA (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL421388 0.75 ALDH1A1 (0.35) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL418679 0.74 BRD4 (0.35) NPSR1
SCHEMBL422655 0.73 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TSHRCYP2C19
SCHEMBL420851 0.72 AOC3 (0.33) MAPTSMN1; SMN2
SCHEMBL419061 0.72 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885ALDH1A1 2598/4885LMNA 4701/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885ALDH1A1 2598/4885LMNA 4701/4885

“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.