SCHEMBL10176906

SCHEMBL10176906

c1cc2c(cc1-c1cncc(N3CCCCC3)n1)nc1n2CCN(C2CCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.40
GAA P10253 1/20 0.40
PIM2 Q9P1W9 5/20 0.39
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL7885364 0.99 CYP11B1 (0.42) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL16297720 0.92 ROCK2 (0.46) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL7887461 0.92 PIM2 (0.40) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL421257 0.91 CYP11B1 (0.42) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL10176936 0.87 MAPT (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10176909 0.86 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL421275 0.86 MAPT (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7886914 0.85 MAPT (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10176910 0.85 MAPT (0.41) CYP11B1CYP11B2MAPTALDH1A1SMN1; SMN2
SCHEMBL417756 0.84 MAPT (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 CYP11B1 3789/4885CYP11B2 3139/4885MAPT 738/4885

“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.