SCHEMBL2813093

SCHEMBL2813093

Cc1ccc2c(c1)c1c(n2CCc2ccc(Cl)cc2)C[C@H]2CCC[C@@H]1N2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.46
MCHR1 Q99705 1/20 0.44
HRH1 P35367 6/20 0.42
ADRA2A P08913 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD2 P14416 1/20 0.39

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
SCHEMBL2813218 1.00 HTR6 (0.46) HTR6MCHR1HRH1ADRA2AHTR2A
SCHEMBL2817371 0.86 HTR6 (0.53) HTR6MCHR1HRH1ADRA2AHTR2A
SCHEMBL2814214 0.86 HTR6 (0.53) HTR6MCHR1HRH1ADRA2AHTR2A
SCHEMBL2813403 0.84 HTR6 (0.43) HTR6
SCHEMBL2813955 0.84 HTR6 (0.43) HTR6
SCHEMBL2813412 0.82 HTR6 (0.46) HTR6
SCHEMBL2813226 0.82 HTR6 (0.46) HTR6
SCHEMBL2809444 0.82 HTR6 (0.49) HTR6MCHR1HRH1ADRA2AHTR2A
SCHEMBL2811350 0.82 HTR6 (0.49) HTR6MCHR1HRH1ADRA2AHTR2A
SCHEMBL2813836 0.80 HTR6 (0.55) HTR6MCHR1HRH1ADRA2AHTR2A

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 12 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-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 HTR6 21/4885MCHR1 127/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885MCHR1 127/4885HRH1 457/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885MCHR1 127/4885HRH1 457/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885MCHR1 127/4885HRH1 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.