SCHEMBL2814942

SCHEMBL2814942

Cc1ccc2c(c1)c1c(n2CC(C)c2ccc(Cl)cc2)CC2CCC1N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.40
SIGMAR1 Q99720 3/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 2/20 0.33
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
MCHR1 Q99705 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NTSR1 P30989 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
CACNB4 O00305 1/20 0.32

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
SCHEMBL6921046 0.88 HTR6 (0.40) HTR6SIGMAR1KDM4EMAPK1TDP1
SCHEMBL2811469 0.84 SIGMAR1 (0.47) HTR6SIGMAR1MEN1HTTKMT2A
SCHEMBL2814557 0.84 SIGMAR1 (0.47) HTR6SIGMAR1MEN1HTTKMT2A
SCHEMBL16775014 0.83 HTR6 (0.39) HTR6SIGMAR1MCHR1
SCHEMBL13394764 0.82 SIGMAR1 (0.43) HTR6SIGMAR1MEN1HTTKMT2A
SCHEMBL6920871 0.80 HTR6 (0.40) HTR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL13394715 0.80 HTR6 (0.38) HTR6SIGMAR1PTGDR2CYP2C9AKR1B1
SCHEMBL6921054 0.80 HTR6 (0.38) HTR6SIGMAR1PTGDR2CYP2C9AKR1B1
SCHEMBL13413178 0.79 HTR6 (0.43) HTR6SIGMAR1CYP2C9MCHR1CACNB4
SCHEMBL6921358 0.78 HTR6 (0.40) HTR6SIGMAR1PTGDR2KDM4EMAPK1

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 556/4885PTGDR2 248/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885PTGDR2 248/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885PTGDR2 248/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HTR6 21/4885SIGMAR1 556/4885PTGDR2 248/4885

“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.