SCHEMBL2815288

SCHEMBL2815288

Cc1cc(Cn2c3c(c4cc(F)ccc42)CN2CCC3CC2)on1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PARG Q86W56 13/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA3 P32297 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
HRH1 P35367 1/20 0.36
HTR6 P50406 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
SCHEMBL2816820 0.79 TBXA2R (0.47) HRH1HTR6
SCHEMBL2811870 0.78 HDAC6 (0.41) HRH1HTR6
SCHEMBL2814605 0.78 SCN9A (0.38) PARGPTGDR2HRH1HTR6
SCHEMBL2812789 0.78 HRH1 (0.48) HRH1HTR6
SCHEMBL951917 0.77 MCHR1 (0.38) HRH1HTR6
SCHEMBL2810391 0.76 TBXA2R (0.55) HRH1HTR6
SCHEMBL957244 0.76 CYP17A1 (0.44) GRIN1GRIN2BHRH1HTR6
SCHEMBL2812940 0.75 TBXA2R (0.45) HRH1HTR6
SCHEMBL2810996 0.75 HRH1 (0.51) GRIN1GRIN2BPTGDR2HRH1HTR6
SCHEMBL960009 0.75 TBXA2R (0.40) HRH1HTR6

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 7 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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US 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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (2 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 GRIN1 1088/4885GRIN2B 1145/4885PARG 2927/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GRIN1 1088/4885GRIN2B 1145/4885PARG 2927/4885

“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.