SCHEMBL10176848

SCHEMBL10176848

CC1CCN(Cc2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 2/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL10176865 0.94 MAPT (0.41) ACHEMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL419692 0.91 HRH3 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL419780 0.90 HRH3 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10176855 0.89 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL7885320 0.87 HRH3 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL418530 0.86 HRH3 (0.42) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10176851 0.86 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL420422 0.85 MAPT (0.41) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10176823 0.84 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL10176758 0.84 MAPT (0.44) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ACHE 92/4885MAPT 738/4885ALDH1A1 2598/4885

“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.