SCHEMBL5655372

SCHEMBL5655372

Nc1ccc([C@H](O)c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.41
SLC10A1 Q14973 1/20 0.40
BRD4 O60885 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
STAT6 P42226 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL5655181 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL5655180 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL23610057 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143614 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143646 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL477369 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL15709920 0.83 AHR (0.54) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31067503 0.82 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL17064838 0.82 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL3678911 0.81 SLC6A2 (0.51) SLC6A3SLC6A2SLC6A4MAPTKDM4E

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
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 SLC6A3 1951/4885SLC6A2 1925/4885SLC6A4 1688/4885

“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.