SCHEMBL1696992

SCHEMBL1696992

Cc1ccccc1C#Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.58
KCNH2 Q12809 1/20 0.47
CYP1A2 P05177 3/20 0.46
TSHR P16473 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
SCHEMBL16004606 0.86 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL30526535 0.86 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL22809928 0.83 GRM5 (0.57) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.81 GRM5 (0.67) GRM5KCNH2CYP1A2
SCHEMBL352291 0.81 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL3416733 0.78 KIT (0.53) GRM5
SCHEMBL3644208 0.78 TSHR (0.62) GRM5CYP1A2TSHR
SCHEMBL30666154 0.78 TSHR (0.62) GRM5CYP1A2TSHR
SCHEMBL12424795 0.77 GRM5 (0.55) GRM5KCNH2CYP1A2
SCHEMBL1921319 0.77 GRM5 (0.57) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794385-B Method for synthesizing phenylethynyl pyridine derivative 陕西师范大学 2021-09-21 CN disclosed
CN-108794385-A A method of synthesis phenylethynylpyridin derivative 陕西师范大学 2018-11-13 CN disclosed
EP-2473166-A2 TREATMENT AND PREVENTION OF SECONDARY INJURY AFTER TRAUMA OR DAMAGE TO THE CENTRAL NERVOUS SYSTEM Schneider, Eric B. (US) 2012-07-11 EP disclosed
US-20120157420-A1 TREATMENT AND PREVENTION OF SECONDARY INJURY AFTER TRAUMA OR DAMAGE TO THE CENTRAL NERVOUS SYSTEM SCHNEIDER ERIC B (US) 2012-06-21 US disclosed
WO-2011026060-A2 TREATMENT AND PREVENTION OF SECONDARY INJURY AFTER TRAUMA OR DAMAGE TO THE CENTRAL NERVOUS SYSTEM SCHNEIDER ERIC B (US) 2011-03-03 WO disclosed
US-20100234402-A1 METHODS AND COMPOSITIONS FOR TREATING SPINAL MUSCULAR ATROPHY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2010-09-16 US disclosed
WO-2009016486-A2 USE OF NMDA RECEPTOR ANTAGONISTS FOR TREATMENT OF UROLOGIC TUMORS COMPUGEN, LTD (US) 2009-02-05 WO disclosed
WO-2008150509-A1 METHODS AND COMPOSITIONS FOR TREATING SPINAL MUSCULAR ATROPHY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-12-11 WO disclosed
US-20060286167-A1 Compositions and methods for the treatment of neurodegenerative diseases STAUNTON JANE 2006-12-21 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119329-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 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 (1 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT GRM5 269/4885KCNH2 1567/4885CYP1A2 4301/4885

“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.