SCHEMBL2809847

SCHEMBL2809847

Cc1ccc(CCn2c3c(c4cc(C(C)C)ccc42)C2CCC(C3)N2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
SIGMAR1 Q99720 5/20 0.44
HRH1 P35367 4/20 0.44
GRIN2B Q13224 2/20 0.44
BCHE P06276 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL2816894 0.90 HTR6 (0.56) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL2813204 0.90 HTR6 (0.56) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL2816754 0.90 HTR6 (0.56) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL2810396 0.89 HTR6 (0.44) HTR6SIGMAR1HRH1GRIN2BBCHE
Hydrochloric Acid SCHEMBL2811886 0.89 HTR6 (0.55) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL2814641 0.88 HTR6 (0.45) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL13394750 0.88 HTR6 (0.45) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL2810779 0.86 SIGMAR1 (0.54) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL13394801 0.86 SIGMAR1 (0.54) HTR6SIGMAR1HRH1GRIN2BBCHE
SCHEMBL15119420 0.86 SIGMAR1 (0.54) HTR6SIGMAR1HRH1GRIN2BBCHE

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 21/4885SIGMAR1 556/4885HRH1 457/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885HRH1 457/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885HRH1 457/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885HRH1 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.