SCHEMBL5172003

SCHEMBL5172003

c1cncc(C2NCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.56
CHRNA4 P43681 9/20 0.56
CHRNA7 P36544 7/20 0.51
CYP2A6 P11509 4/20 0.50
MEN1 O00255 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41

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
SCHEMBL28132486 0.78 ALDH1A1 (0.51) CHRNB2CHRNA4CHRNA7CYP2C19CYP1A2
SCHEMBL2257666 0.77 SLC6A2 (0.58) CHRNA7MEN1CYP2D6CYP2C19KMT2A
SCHEMBL460150 0.77 SLC6A2 (0.58) CHRNA7MEN1CYP2D6CYP2C19KMT2A
SCHEMBL594796 0.76 ALDH1A1 (0.57) CHRNA7CYP2D6SLC6A2ADRA1AHTR2B
SCHEMBL1023795 0.75 ALDH1A1 (0.59) CHRNA7CYP2D6SLC6A2ADRA1AHTR2B
SCHEMBL30240863 0.75 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL137900 0.75 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL27907518 0.74
Hydrochloric Acid SCHEMBL31227410 0.73 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL2564441 0.73 DRD2 (0.55) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 US disclosed
EP-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 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 (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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 CHRNB2 66/4885CHRNA4 30/4885CHRNA7 29/4885

“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.