SCHEMBL4035787

SCHEMBL4035787

OCCCc1c(Br)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA2 P00918 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TLR8 Q9NR97 1/20 0.30
GPR17 Q13304 1/20 0.30

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
SCHEMBL29529062 0.87 KDM4E (0.36) KDM4EPOLBALDH1A1CA2CYP4F2
SCHEMBL6582640 0.87 KDM4E (0.36) KDM4EPOLBALDH1A1CA2CYP4F2
SCHEMBL533943 0.87 ALDH1A1 (0.48) KDM4EPOLBALDH1A1CA2CYP4F2
SCHEMBL6518274 0.86 EED (0.36) KDM4EPOLBALDH1A1CA2CYP4F2
SCHEMBL16555192 0.85 TDP1 (0.40) KDM4EALDH1A1CA2CYP4F2CYP4A11
SCHEMBL20700086 0.81 KDM4E (0.33) KDM4EPOLBALDH1A1
SCHEMBL20718422 0.78 ADRA2A (0.31) KDM4EPOLBCA2TAAR1TDP1
Hydrochloric Acid SCHEMBL20700235 0.77 KDM4E (0.33) KDM4EPOLBTAAR1TDP1
Hydrochloric Acid SCHEMBL29981568 0.77 KDM4E (0.33) KDM4EPOLBTAAR1TDP1
SCHEMBL18243554 0.76 ALDH1A1 (0.33) ALDH1A1TAAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-11-08 US disclosed
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 EP disclosed
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 EP disclosed
US-20210093606-A1 COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2021-04-01 US disclosed
US-10780074-B2 Compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-09-22 US disclosed
EP-3661929-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF Sunovion Pharmaceuticals Inc. (US) 2020-06-10 EP disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 WO disclosed
US-20190038594-A1 COMPOUNDS AND USES THEREOF PGI DRUG DISCOVERY LLC 2019-02-07 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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 (5 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 KDM4E 1602/4885POLB 566/4885ALDH1A1 3257/4885
US-20210093606-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB KDM4E 3953/4885POLB 2661/4885ALDH1A1 178/4885
US-10780074-B2 Compounds and uses thereof PYGB, NLN, MAOB KDM4E 3953/4885POLB 2661/4885ALDH1A1 178/4885
US-20190038594-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB KDM4E 3953/4885POLB 2661/4885ALDH1A1 178/4885
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA KDM4E 2961/4885POLB 2793/4885ALDH1A1 704/4885

“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.