SCHEMBL10130728

SCHEMBL10130728

C=C1CCN(C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 3/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22306151 0.91 CHRNA7 (0.43) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL10254882 0.84
SCHEMBL26537774 0.79 CHRNA7 (0.32) CHRNA7
SCHEMBL10255075 0.77 CHRNA7 (0.41) CHRNA7HRH3ALDH1A1GAATHRB
SCHEMBL19459142 0.74 CHRNA7 (0.52) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL16809744 0.74 HRH3 (0.35) CHRNA7HRH3
SCHEMBL190568 0.72 CHRNA7 (0.50) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL15505237 0.72 CHRNA7 (0.50) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL16992195 0.72 CHRNA7 (0.50) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL19459064 0.72 CHRNA7 (0.56) CHRNA7HRH3ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-24 US disclosed
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
US-9550746-B2 Benzofuran-2-sulfonamides derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-01-24 US disclosed
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 US disclosed
US-8815891-B2 Tricyclic derivative or pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition containing the same JE IL PHARMACEUTICAL CO., LTD. (KR) 2014-08-26 US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
US-20110218193-A1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2011-09-08 US disclosed
US-7947839-B2 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use GENENTECH, INC. (US) 2011-05-24 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 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 (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-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA CHRNA7 391/4885HRH3 169/4885ALDH1A1 1177/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CHRNA7 2775/4885HRH3 4413/4885ALDH1A1 3992/4885
US-20110218193-A1 NOVEL TRICYCLIC DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PARP1, PARP15, PARP11 CHRNA7 4246/4885HRH3 3382/4885ALDH1A1 1018/4885
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 CHRNA7 224/4885HRH3 140/4885ALDH1A1 905/4885
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE POLR2E, POLR2H, POLRMT CHRNA7 2342/4885HRH3 3640/4885ALDH1A1 1795/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 CHRNA7 2390/4885HRH3 2777/4885ALDH1A1 295/4885
US-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors ALDH1A1, ALDH1A2, ALDH1B1 CHRNA7 2412/4885HRH3 1749/4885ALDH1A1 1/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 CHRNA7 3262/4885HRH3 3026/4885ALDH1A1 3958/4885

“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.