SCHEMBL5171064

SCHEMBL5171064

c1cncc(N2CCNC2)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.71
CHRNA4 P43681 9/20 0.71
CHRNA7 P36544 3/20 0.53
CHRNB4 P30926 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
CHRND Q07001 1/20 0.52
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL30317106 0.90 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29507540 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3538787 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5335 0.89 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9066315 0.87 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3061045 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6350076 0.81 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3065598 0.80 CHRNB2 (0.94) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5655866 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5654828 0.78 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 6 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
US-6066737-A Process for the preparation of optically enriched 4-aryl-3-hydromethyl substituted piperidines to be used as intermediates in the synthesis of paroxetine CHIROTECH TECHNOLOGY, LTD. (GB) 2000-05-23 US disclosed
EP-0874820-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ENRICHED 4-ARYL-3-HYDROMETHYL SUBSTITUTED PIPERIDINES TO BE USED AS INTERMEDIATES IN THE SYNTHESIS OF PAROXETINE Chirotech Technology Limited (GB) 1998-11-04 EP disclosed
WO-1997024323-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ENRICHED 4-ARYL-3-HYDROMETHYL SUBSTITUTED PIPERIDINES TO BE USED AS INTERMEDIATES IN THE SYNTHESIS OF PAROXETINE CHIROTECH TECHNOLOGY (GB) 1997-07-10 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.