SCHEMBL2813239

SCHEMBL2813239

CC1CCCN1c1ccc(Cn2c3c(c4cc(F)ccc42)CN2CCC3CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.40
HTR6 P50406 2/20 0.40
HRH1 P35367 1/20 0.40
KLKB1 P03952 3/20 0.37
MCHR1 Q99705 4/20 0.36
TBXAS1 P24557 3/20 0.35
KLK1 P06870 1/20 0.35
PER2 O15055 3/20 0.34
CRY2 Q49AN0 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2809345 0.86 TBXA2R (0.41) TBXA2RHTR6HRH1KLKB1MCHR1
SCHEMBL2814074 0.85 TBXA2R (0.40) TBXA2RHTR6HRH1MCHR1TBXAS1
SCHEMBL951065 0.81 TBXA2R (0.43) TBXA2RHTR6HRH1MCHR1TBXAS1
SCHEMBL2811018 0.81 TBXA2R (0.40) TBXA2RHTR6HRH1MCHR1TBXAS1
SCHEMBL2815715 0.80 MCHR1 (0.49) TBXA2RHTR6HRH1MCHR1
SCHEMBL2816820 0.80 TBXA2R (0.47) TBXA2RHTR6HRH1
SCHEMBL2811068 0.79 TBXA2R (0.42) TBXA2RHTR6HRH1MCHR1TBXAS1
SCHEMBL2814157 0.78 HTR6 (0.40) TBXA2RHTR6HRH1MCHR1
SCHEMBL2810391 0.77 TBXA2R (0.55) TBXA2RHTR6HRH1MAPT
SCHEMBL2815061 0.77 TBXA2R (0.58) TBXA2RHRH1TBXAS1

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 419/4885HTR6 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

“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.