SCHEMBL6895652

SCHEMBL6895652

Clc1ccc2c(c1)nc1n2C2CC(C1)N(C1CCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
MCHR1 Q99705 6/20 0.35
KCNH2 Q12809 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
PRKACA P17612 3/20 0.32
GSK3B P49841 3/20 0.32
ROCK1 Q13464 2/20 0.32
RPS6KB1 P23443 1/20 0.32
HTR3A P46098 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BACE1 P56817 1/20 0.31
OPRM1 P35372 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
SCHEMBL10298617 0.85 PRKACA (0.46) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL6893935 0.82 OGFRL1 (0.46) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL10298620 0.81 PRKACA (0.38) CYP11B2MCHR1CCNT1CDK9KDM4E
SCHEMBL6896120 0.80 USP30 (0.37) CYP11B2KCNH2HRH3
SCHEMBL6895803 0.77 IDO1 (0.32) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL10298616 0.77 KDM4E (0.30) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL6895933 0.75 DYRK1A (0.38) CYP11B2
SCHEMBL6895409 0.72 CYP11B2 (0.38) CYP11B2MCHR1KCNH2CCNT1CDK9
SCHEMBL6896600 0.71 CYP11B2 (0.39) CYP11B2MCHR1
SCHEMBL6895521 0.71 HTR3A (0.38) CYP11B2CCNT1CDK9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 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 (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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 CYP11B2 2925/4885MCHR1 149/4885KCNH2 529/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 2925/4885MCHR1 149/4885KCNH2 529/4885

“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.