SCHEMBL935756

SCHEMBL935756

Cc1ncc(C#C[Si](C)(C)C)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.34
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL1349094 0.79 HSP90AA1 (0.35) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL23235334 0.79 GRM5 (0.31) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL14299556 0.79 GRM5 (0.31) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL2515112 0.79 GRM5 (0.34) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL2160719 0.78 GRM5 (0.50) GRM5
SCHEMBL3680715 0.76 ACACB (0.34)
SCHEMBL2974303 0.76 GRM5 (0.58) GRM5
SCHEMBL2284491 0.76 KDM4E (0.33)
SCHEMBL503751 0.76 CYP1A2 (0.55) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL15903075 0.76 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
CN-102227431-A Indole and indoline derivatives and methods of use thereof ABBOTT LAB 2011-10-26 CN disclosed
US-7989620-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2011-08-02 US disclosed
EP-2344505-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-07-20 EP disclosed
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US disclosed
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 WO disclosed
US-7648992-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2010-01-19 US disclosed
EP-1778673-B1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2009-11-11 EP disclosed
CN-100543024-C The hydantoin derivatives that is used for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2009-09-23 CN disclosed
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2008-03-13 US disclosed
CN-1980914-A Novel hydantoin derivatives for the treatment of obstructive airway diseases. ASTRAZENECA AB (SE) 2007-06-13 CN disclosed
EP-1778673-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006004532-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2006-01-12 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 (6 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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRM5 778/4885GABRA1 3964/4885GABRG2 4252/4885
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2437/4885GABRA1 3102/4885GABRG2 4057/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRM5 778/4885GABRA1 3964/4885GABRG2 4252/4885
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2364/4885GABRA1 3061/4885GABRG2 4008/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRM5 778/4885GABRA1 3964/4885GABRG2 4252/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRM5 778/4885GABRA1 3964/4885GABRG2 4252/4885

“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.