SCHEMBL16486649

SCHEMBL16486649

COc1cc(C(=O)N2CCC[C@H]2CO)c(N)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
SPHK2 Q9NRA0 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL16486652 1.00 ROCK2 (0.48) ROCK2TRPV1TLR8TLR7HSP90AA1
SCHEMBL23482771 0.84 ROCK2 (0.45) ROCK2TRPV1TLR8TLR7LMNA
SCHEMBL30192184 0.84 ROCK2 (0.45) ROCK2TRPV1TLR8TLR7LMNA
SCHEMBL18100012 0.84 POLB (0.44) ROCK2TRPV1HSP90AA1HSP90AB1LMNA
SCHEMBL16481076 0.84 HPGD (0.49) HSP90AA1HSP90AB1POLBL3MBTL1KDM4E
SCHEMBL31235869 0.83 LRRK2 (0.40) ROCK2TRPV1HSP90AA1HSP90AB1LMNA
SCHEMBL13594850 0.83 TRPV1 (0.44) ROCK2TRPV1TLR8TLR7LMNA
SCHEMBL12859640 0.83 TRPV1 (0.44) ROCK2TRPV1TLR8TLR7LMNA
SCHEMBL28439902 0.82 ROCK2 (0.45) ROCK2TRPV1TLR8TLR7HSP90AA1
SCHEMBL28068161 0.82 ROCK2 (0.45) ROCK2TRPV1TLR8TLR7HSP90AA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 EP disclosed
EP-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 EP disclosed
US-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-04-28 US disclosed
US-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-04-28 US disclosed
US-10544215-B2 1-(Chloromethyl)-2,3-dihydro-1H-benzo[e]indole dimer antibody-drug conjugate compounds, and methods of use and treatment GENENTECH, INC. (US) 2020-01-28 US disclosed
US-10442836-B2 1-(chloromethyl)-2,3-dihydro-1H-benzo[E]indole dimer antibody-drug conjugate compounds, and methods of use and treatment GENENTECH, INC. (US) 2019-10-15 US disclosed
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2019-03-21 US disclosed
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2019-03-21 US disclosed
EP-3033111-B1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH INC (US) 2019-03-13 EP disclosed
US-10124069-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2018-11-13 US disclosed
US-20160354485-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2016-12-08 US disclosed
EP-3082876-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-10-26 EP disclosed
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
CN-105828840-A 1- (chloromethyl) -2, 3-dihydro-1H-benzo [ e ] indole dimer antibody-drug conjugate compounds and methods of use and treatment 基因泰克公司 2016-08-03 CN disclosed
EP-3033111-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-06-22 EP disclosed
WO-2015095212-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-06-25 WO disclosed
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 WO disclosed
US-20150165063-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT AUCKLAND CANCER SOCIETY RESEARCH CENTRE (NZ) 2015-06-18 US disclosed
WO-2015023355-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-02-19 WO 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 (8 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-20150165063-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT IDO1, DBI, IDO2 ROCK2 2539/4885TRPV1 3647/4885TLR8 2918/4885
US-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, BCR ROCK2 3088/4885TRPV1 3810/4885TLR8 1544/4885
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR ROCK2 3088/4885TRPV1 3810/4885TLR8 1544/4885
US-10442836-B2 1-(chloromethyl)-2,3-dihydro-1H-benzo[E]indole dimer antibody-drug conjugate compounds, and methods of use and treatment IDO1, DBI, IDO2 ROCK2 2539/4885TRPV1 3647/4885TLR8 2918/4885
US-20160354485-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT IDO1, DBI, IDO2 ROCK2 2539/4885TRPV1 3647/4885TLR8 2918/4885
US-10544215-B2 1-(Chloromethyl)-2,3-dihydro-1H-benzo[e]indole dimer antibody-drug conjugate compounds, and methods of use and treatment IDO1, DBI, IDO2 ROCK2 2539/4885TRPV1 3647/4885TLR8 2918/4885
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR ROCK2 3088/4885TRPV1 3810/4885TLR8 1544/4885
US-10124069-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, BCR ROCK2 3088/4885TRPV1 3810/4885TLR8 1544/4885

“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.