SCHEMBL5656943

SCHEMBL5656943

CC(C)Cn1c(CO)cnc1S

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MLYCD O95822 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MTOR P42345 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
SCHEMBL5655799 0.79 POLB (0.39) POLBCYP2C19MAPK1HTTTHRB
SCHEMBL5654666 0.76 MLYCD (0.33) POLBMLYCDALDH1A1
SCHEMBL5397038 0.76 POLB (0.37) POLBCYP2C19MAPK1HTTADORA2A
SCHEMBL3763823 0.72
SCHEMBL7248981 0.72 MAPT (0.35) POLBCYP2C19MAPK1HTTADORA2A
SCHEMBL5657557 0.70 POLB (0.33) POLBCYP2C19MAPK1HTTADORA2B
SCHEMBL9856716 0.68 MLYCD (0.44) POLBCYP2C19MAPK1HTTMLYCD
SCHEMBL5655060 0.68
SCHEMBL25283654 0.66 CYP1A2 (0.35) POLBGRIN1GRIN2BCYP2C19MAPK1
SCHEMBL25283653 0.66 CYP1A2 (0.35) POLBGRIN1GRIN2BCYP2C19MAPK1

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 POLB 3578/4885GRIN1 311/4885GRIN2B 251/4885

“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.