SCHEMBL1787151

SCHEMBL1787151

CC(O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
CYP19A1 P11511 2/20 0.32
DRD2 P14416 4/20 0.31
DRD1 P21728 4/20 0.31
DRD5 P21918 4/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 3/20 0.31
ACACB O00763 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1788185 0.80 ACACB (0.50) ACACBKMT2AALDH1A1HSP90AA1GAA
SCHEMBL12608372 0.79 DRD1 (0.49) DRD2DRD1DRD5DRD4DRD3
SCHEMBL30474075 0.77 UGT2B7 (0.47) UGT2B7KMT2AALDH1A1HSP90AA1GAA
SCHEMBL3089928 0.76 DRD1 (0.50) DRD2DRD1DRD5DRD4DRD3
SCHEMBL1787712 0.76 RORC (0.44)
Hydrochloric Acid SCHEMBL1640489 0.75 DRD1 (0.49) DRD2DRD1DRD5DRD4DRD3
SCHEMBL7998429 0.73 ALDH1A1 (0.44) UGT2B7KMT2AALDH1A1HSP90AA1GAA
SCHEMBL30678320 0.73 ALDH1A1 (0.48) UGT2B7KMT2AALDH1A1HSP90AA1GAA
SCHEMBL11107765 0.73 ALDH1A1 (0.48) UGT2B7KMT2AALDH1A1HSP90AA1GAA
SCHEMBL30678317 0.73 ALDH1A1 (0.48) UGT2B7KMT2AALDH1A1HSP90AA1GAA

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 3 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
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 UGT2B7 1261/4885CYP11B1 1648/4885CYP11B2 1282/4885

“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.