SCHEMBL2814565

SCHEMBL2814565

CC(C)c1ccc2c(c1)c1c(n2CCc2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
HTR6 P50406 3/20 0.40
PTGES2 Q9H7Z7 8/20 0.39
PTGES O14684 4/20 0.38
ALOX5 P09917 5/20 0.36
ALOX5AP P20292 3/20 0.36
MEN1 O00255 3/20 0.36
USP2 O75604 3/20 0.36
TP53 P04637 3/20 0.36
CYP1A2 P05177 3/20 0.36
POLB P06746 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C9 P11712 3/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
MAPK1 P28482 3/20 0.36
RECQL P46063 3/20 0.36
BLM P54132 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL2814228 1.00 SIGMAR1 (0.45) SIGMAR1HTR6PTGES2PTGESALOX5
SCHEMBL13394724 0.91 SIGMAR1 (0.49) SIGMAR1HTR6
SCHEMBL2814557 0.88 SIGMAR1 (0.47) SIGMAR1HTR6MEN1KMT2A
SCHEMBL2809406 0.88 SIGMAR1 (0.47) SIGMAR1HTR6PTGES2PTGES
SCHEMBL2811469 0.88 SIGMAR1 (0.47) SIGMAR1HTR6MEN1KMT2A
SCHEMBL2817375 0.87 SIGMAR1 (0.46) SIGMAR1HTR6
SCHEMBL13394678 0.87 SIGMAR1 (0.46) SIGMAR1HTR6
SCHEMBL2815111 0.87 SIGMAR1 (0.46) SIGMAR1HTR6
SCHEMBL2815351 0.87 SIGMAR1 (0.46) SIGMAR1HTR6
SCHEMBL13394728 0.86 SIGMAR1 (0.47) SIGMAR1HTR6

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 SIGMAR1 556/4885HTR6 21/4885PTGES2 2001/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885PTGES2 2001/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885PTGES2 2001/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885PTGES2 2001/4885

“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.