SCHEMBL5656543

SCHEMBL5656543

CCCn1nncc1CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.36
TOP2A P11388 2/20 0.36
SLC9A1 P19634 1/20 0.34
POLB P06746 1/20 0.34
PTGS2 P35354 3/20 0.34
HSD11B1 P28845 1/20 0.33
MGMT P16455 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
HCAR3 P49019 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GRM2 Q14416 1/20 0.31
CYP1A2 P05177 1/20 0.31
ESR1 P03372 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16815645 0.89 GGPS1 (0.40) GGPS1TOP2ASLC9A1PTGS2HSD11B1
SCHEMBL945084 0.85 GGPS1 (0.43) GGPS1SLC9A1PTGS2HCAR3
SCHEMBL14981007 0.83 TOP2A (0.38) GGPS1TOP2ASLC9A1POLBPTGS2
SCHEMBL18163273 0.82 GGPS1 (0.40) GGPS1TOP2ASLC9A1POLBPTGS2
SCHEMBL16815524 0.79 MGMT (0.38) GGPS1PTGS2HSD11B1MGMTHCAR3
SCHEMBL3546972 0.78 GGPS1 (0.51) GGPS1TOP2ASLC9A1HSD11B1MGMT
Hydrochloric Acid SCHEMBL5655674 0.78 MGMT (0.47) GGPS1TOP2ASLC9A1POLBPTGS2
SCHEMBL16815508 0.77 ALOX5 (0.35) GGPS1PTGS2MGMTALDH1A1
SCHEMBL3540867 0.76 GGPS1 (0.53) GGPS1SLC9A1
SCHEMBL5020876 0.76 GGPS1 (0.53) GGPS1SLC9A1

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 GGPS1 2444/4885TOP2A 1953/4885SLC9A1 3092/4885

“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.