SCHEMBL951905

SCHEMBL951905

Cc1ccc2c(c1)c1c(n2CCc2ccccc2C)C2CCCN(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
BCHE P06276 2/20 0.42
HRH1 P35367 8/20 0.41
HTR6 P50406 6/20 0.41
ADRA2A P08913 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL955476 0.89 HRH1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1722287 0.82 HRH1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2810402 0.80 HRH1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL952397 0.79 HRH1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2813174 0.76 C5AR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2813851 0.74 HRH1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2812573 0.74 GAA (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12198013 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12198011 0.70 MCHR1 (0.48) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL952820 0.70 HRH1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 18 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 claimed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US claimed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US claimed
EP-2344505-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-07-20 EP claimed
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US claimed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US claimed
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 WO claimed
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 GRIN2D 698/4885GRIN3B 1242/4885GRIN1 1088/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRIN2D 698/4885GRIN3B 1242/4885GRIN1 1088/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRIN2D 698/4885GRIN3B 1242/4885GRIN1 1088/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRIN2D 698/4885GRIN3B 1242/4885GRIN1 1088/4885

“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.