SCHEMBL2813152

SCHEMBL2813152

Fc1ccc2c(c1)c1c(n2Cc2ccc(C(F)(F)F)c(F)c2)C2CCN(CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.39
HTR6 P50406 6/20 0.39
HRH1 P35367 5/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
DRD4 P21917 1/20 0.36
AKR1B1 P15121 2/20 0.35
AKR1B10 O60218 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
S1PR3 Q99500 1/20 0.34
MCHR1 Q99705 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KCNH2 Q12809 1/20 0.33

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 0.86 TBXA2R (0.47) TBXA2RHTR6HRH1AKR1B1HDAC3
SCHEMBL951967 0.84 MAPT (0.44) TBXA2RHTR6HRH1DRD4
SCHEMBL2810391 0.83 TBXA2R (0.55) TBXA2RHTR6HRH1AKR1B1HDAC3
SCHEMBL2815715 0.82 MCHR1 (0.49) TBXA2RHTR6HRH1JAK2JAK1
SCHEMBL2812940 0.82 TBXA2R (0.45) TBXA2RHTR6HRH1AKR1B1HDAC3
SCHEMBL2812789 0.80 HRH1 (0.48) TBXA2RHTR6HRH1HDAC3HDAC1
SCHEMBL960009 0.79 TBXA2R (0.40) TBXA2RHTR6HRH1MCHR1
SCHEMBL957244 0.78 CYP17A1 (0.44) TBXA2RHTR6HRH1MCHR1
SCHEMBL951065 0.78 TBXA2R (0.43) TBXA2RHTR6HRH1HDAC3HDAC1
SCHEMBL1722882 0.77 HTR6 (0.57) TBXA2RHTR6HRH1

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 11 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-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US 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
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
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

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 TBXA2R 419/4885HTR6 21/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 TBXA2R 419/4885HTR6 21/4885HRH1 457/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 TBXA2R 419/4885HTR6 21/4885HRH1 457/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 TBXA2R 419/4885HTR6 21/4885HRH1 457/4885

“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.