SCHEMBL2813644

SCHEMBL2813644

Fc1ccc2c(c1)c1c(n2CCBr)C2CCN(CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.40
MCHR1 Q99705 3/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 4/20 0.38
PER2 O15055 7/20 0.37
CRY2 Q49AN0 3/20 0.37
TBXA2R P21731 2/20 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
SCHEMBL2810808 0.88 TBXA2R (0.41) HTR6DRD2SLC6A4HRH1PER2
SCHEMBL1722882 0.85 HTR6 (0.57) HTR6HRH1TBXA2R
SCHEMBL2816820 0.82 TBXA2R (0.47) HTR6HRH1TBXA2R
SCHEMBL2812940 0.81 TBXA2R (0.45) HTR6HRH1TBXA2R
SCHEMBL2810391 0.80 TBXA2R (0.55) HTR6HRH1TBXA2R
SCHEMBL2812789 0.79 HRH1 (0.48) HTR6HRH1TBXA2R
SCHEMBL2811065 0.78 MCHR1 (0.42) HTR6MCHR1HRH1PER2CRY2
SCHEMBL957244 0.77 CYP17A1 (0.44) HTR6MCHR1HRH1TBXA2R
SCHEMBL951917 0.76 MCHR1 (0.38) HTR6MCHR1DRD2SLC6A4HRH1
SCHEMBL2810996 0.76 HRH1 (0.51) HTR6MCHR1HRH1

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 4 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 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 HTR6 21/4885MCHR1 127/4885DRD2 46/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885MCHR1 127/4885DRD2 46/4885

“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.