SCHEMBL2811068

SCHEMBL2811068

O=c1cccnn1-c1ccc(Cn2c3c(c4cc(F)ccc42)CN2CCC3CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.42
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
MCHR1 Q99705 6/20 0.39
HRH1 P35367 2/20 0.39
HTR6 P50406 1/20 0.39
TBXAS1 P24557 7/20 0.38

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
SCHEMBL2810623 0.88 TBXA2R (0.41) TBXA2RCNR2CNR1MCHR1HRH1
SCHEMBL2811018 0.86 TBXA2R (0.40) TBXA2RCNR2CNR1MCHR1HRH1
SCHEMBL2809345 0.83 TBXA2R (0.41) TBXA2RMCHR1HRH1HTR6TBXAS1
SCHEMBL2814074 0.82 TBXA2R (0.40) TBXA2RMCHR1HRH1HTR6TBXAS1
SCHEMBL2809410 0.81 MCHR1 (0.42) TBXA2RMCHR1
SCHEMBL2815061 0.81 TBXA2R (0.58) TBXA2RCNR2HRH1TBXAS1
SCHEMBL951065 0.80 TBXA2R (0.43) TBXA2RMCHR1HRH1HTR6TBXAS1
SCHEMBL2813239 0.79 TBXA2R (0.40) TBXA2RMCHR1HRH1HTR6TBXAS1
SCHEMBL2815715 0.78 MCHR1 (0.49) TBXA2RMCHR1HRH1HTR6
SCHEMBL2816820 0.78 TBXA2R (0.47) TBXA2RCNR2CNR1HRH1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 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 TBXA2R 419/4885CNR2 57/4885CNR1 64/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 TBXA2R 419/4885CNR2 57/4885CNR1 64/4885

“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.