SCHEMBL3275590

SCHEMBL3275590

O=C1c2c(Br)cccc2OCCN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GRM2 Q14416 1/20 0.46
TNIK Q9UKE5 2/20 0.41
AR P10275 1/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 4/20 0.39
PARP1 P09874 1/20 0.39
MAPK1 P28482 2/20 0.39
PREP P48147 1/20 0.39

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
SCHEMBL13278072 0.79 ROCK2 (0.40) KCNH2GRM2TNIKARTSHR
SCHEMBL11985664 0.79 PRMT5 (0.49) TNIKARTSHRROCK2ROCK1
SCHEMBL3277729 0.79 KCNH2 (0.46) KCNH2GRM2TNIKROCK2ROCK1
SCHEMBL13277913 0.78 TNIK (0.43) KCNH2GRM2TNIKARTSHR
SCHEMBL16488375 0.77 DDB1 (0.47) KCNH2ARTSHRMAPK1
SCHEMBL14552616 0.76 MAPK1 (0.47) TNIKARROCK2ROCK1MAPK1
SCHEMBL3275684 0.76 KCNH2 (0.39) KCNH2GRM2ARMAPK1PREP
SCHEMBL3277116 0.75 PRMT5 (0.54) TNIKARROCK2ROCK1MAPK1
SCHEMBL3277147 0.75 ROCK2 (0.49) KCNH2TNIKARTSHRROCK2
SCHEMBL14552587 0.74 MAPK1 (0.43) KCNH2GRM2TNIKARROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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 (1 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B KCNH2 1467/4885GRM2 247/4885TNIK 3602/4885

“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.