SCHEMBL77714

SCHEMBL77714

Oc1ccccc1OCC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
JAK2 O60674 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MCHR1 Q99705 3/20 0.48
HTR2C P28335 2/20 0.47
RIPK1 Q13546 1/20 0.46
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL79139 0.98 GAA (0.50) GAAJAK2LMNAMAPTNFKB1
SCHEMBL3725334 0.92 GAA (0.55) GAAJAK2LMNAMAPTNFKB1
SCHEMBL2207261 0.82 NFKB1 (0.49) NFKB1NFKB2RELAMCHR1RIPK1
SCHEMBL27980676 0.81 IDO1 (0.57) GAAJAK2LMNAMAPTNFKB1
SCHEMBL27981218 0.80 JAK2 (0.55) GAAJAK2LMNAMAPTNFKB1
SCHEMBL24224814 0.78 ALDH1A1 (0.61) MCHR1HTR2CRIPK1FAAHCNR1
SCHEMBL6497097 0.78 MCHR1 (0.48) NFKB1NFKB2RELAMCHR1HTR2C
SCHEMBL1340888 0.78 MCHR1 (0.55) LMNAMCHR1HTR2CRIPK1FAAH
SCHEMBL8224255 0.78 LMNA (0.51) LMNAMCHR1HTR2CRIPK1FAAH
SCHEMBL5781772 0.77 RIPK1 (0.54) MCHR1HTR2CRIPK1FAAHCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940900-B2 2,2,2-tri-substituted acetamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (US) 2015-01-27 US disclosed
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-06-10 US disclosed
EP-2125735-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION Advinus Therapeutics Private Limited (IN) 2009-12-02 EP disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 US disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 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 (3 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT GAA 1339/4885JAK2 4883/4885LMNA 3635/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT GAA 1339/4885JAK2 4883/4885LMNA 3635/4885
US-20100144772-A1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, GCKR, GALK1 GAA 47/4885JAK2 3042/4885LMNA 4188/4885

“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.