SCHEMBL1780308

SCHEMBL1780308

Brc1ccc([C@H]2CCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43

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
SCHEMBL1117897 1.00 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1778807 1.00 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
Hydrochloric Acid SCHEMBL17437260 0.98 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
Hydrochloric Acid SCHEMBL15300656 0.98 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
Hydrochloric Acid SCHEMBL15300655 0.96 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1764741 0.94 MEN1 (0.51) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL17782306 0.94 MEN1 (0.51) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL17782275 0.92 MEN1 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL14881196 0.85 MAPT (0.48) CHRNB2CHRNA4CYP2C19SMN1; SMN2CYP2A6
Hydrochloric Acid SCHEMBL15301821 0.83 MAPT (0.47) CHRNB2CHRNA4CYP2C19SMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8440698-B2 3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-aryl-1,2,4-oxadiazole derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2013-05-14 US disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
EP-2536687-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES Novartis AG (CH) 2012-12-26 EP disclosed
US-20120302606-A1 3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ARYL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2012-11-29 US disclosed
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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 (4 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CHRNB2 2700/4885CHRNA7 2139/4885CHRNA4 3287/4885
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES DHPS, ALDH18A1, QDPR CHRNB2 3663/4885CHRNA7 3951/4885CHRNA4 3062/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CHRNB2 2700/4885CHRNA7 2139/4885CHRNA4 3287/4885
US-20120302606-A1 3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ARYL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 CHRNB2 622/4885CHRNA7 655/4885CHRNA4 252/4885

“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.