SCHEMBL2839121

SCHEMBL2839121

Brc1ccc(OC2CCOCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHEK1 O14757 1/20 0.37
PIK3CA P42336 3/20 0.37
PIK3R1 P27986 1/20 0.37
LRRK2 Q5S007 3/20 0.36
CHRM4 P08173 1/20 0.36
DHFR P00374 1/20 0.36
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2837422 0.90 ACACB (0.43) CHRNB2CHRNA4PIK3CALRRK2AKT1
SCHEMBL22663477 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRM4
SCHEMBL30540046 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRM4
SCHEMBL2656329 0.84 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL4095836 0.84 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL23044956 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRM4
SCHEMBL16691251 0.83 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL22583428 0.80 DHFR (0.41) PIK3CAPIK3R1LRRK2DHFRAKT1
SCHEMBL22582907 0.80 CHRM4 (0.46) CHRNB2CHRNA4CHRM4
SCHEMBL12310666 0.80 CHRM4 (0.49) CHRNB2CHRNA4LRRK2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CHRNB2 3440/4885CHRNA4 2408/4885CHEK1 3159/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA CHRNB2 3277/4885CHRNA4 3894/4885CHEK1 549/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CHRNB2 711/4885CHRNA4 519/4885CHEK1 2851/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CHRNB2 711/4885CHRNA4 519/4885CHEK1 2851/4885

“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.