SCHEMBL1789563

SCHEMBL1789563

COC(CCc1ccn(C)n1)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
PTK2 Q05397 6/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PRMT5 O14744 4/20 0.35
WDR77 Q9BQA1 4/20 0.35
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
NQO1 P15559 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL1790067 0.89 ESR2 (0.44) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL12608369 0.84 DRD2 (0.36)
Hydrochloric Acid SCHEMBL1791104 0.77 DDB1 (0.34) JAK2JAK3PTK2
Hydrochloric Acid SCHEMBL1789545 0.76 HRH3 (0.39)
Hydrochloric Acid SCHEMBL1789547 0.76 DRD2 (0.32)
SCHEMBL20425734 0.74 NFE2L2 (0.49) ESR2NR1H2MAPTNQO1
SCHEMBL12608370 0.72 DRD2 (0.37) PRMT5WDR77
SCHEMBL1789953 0.69 ESR2 (0.45) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL1789955 0.69 ESR2 (0.45) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL5663801 0.68 ESR2 (0.57) ESR2NR1H2JAK2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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 (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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 ESR2 1902/4885NR1H2 134/4885JAK2 2327/4885

“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.