SCHEMBL1712816

SCHEMBL1712816

Clc1cc(Cl)cc(C2CCCN2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
PARP1 P09874 1/20 0.40
CHRM5 P08912 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39

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
SCHEMBL24364091 0.94 CYP2D6 (0.47) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL2240750 0.87 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL2240758 0.87 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL28922211 0.83 PARP1 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL2706701 0.82 MEN1 (0.41) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL28789963 0.82 ADRB1 (0.45) CHRNB2CHRNA7CHRNA4L3MBTL1CYP2D6
SCHEMBL30617762 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL28533942 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL6178562 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL29450126 0.81 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55043057-A None JP disclosed
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine DALHOUSIE UNIVERSITY (CA) 2021-11-02 US disclosed
US-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE DALHOUSIE UNIVERSITY (CA) 2020-08-13 US disclosed
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 US disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 US disclosed
JP-S5543057-A PERHYDROPYRROLOIMIDAZOLE DERIVATIVE AND BACTERICIDAL AGENT FOR AGRI- AND FORTICULTURE CONTAINING THE SAME MITSUBISHI CHEM IND LTD 1980-03-26 JP 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 (8 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-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 CHRNB2 1244/4885CHRNA7 875/4885CHRNA4 683/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS CHRNB2 4795/4885CHRNA7 4252/4885CHRNA4 4292/4885
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 CHRNB2 1244/4885CHRNA7 875/4885CHRNA4 683/4885
US-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE C1R, C5, C1S CHRNB2 2141/4885CHRNA7 1917/4885CHRNA4 2235/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P CHRNB2 4645/4885CHRNA7 4663/4885CHRNA4 4524/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR CHRNB2 1145/4885CHRNA7 562/4885CHRNA4 571/4885
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine C1R, C5, C1S CHRNB2 2141/4885CHRNA7 1917/4885CHRNA4 2235/4885
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 CHRNB2 1244/4885CHRNA7 875/4885CHRNA4 683/4885

“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.