SCHEMBL5657880

SCHEMBL5657880

CCOC(=O)CCCn1ccnc1CO

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.47
AMPD2 Q01433 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL18366017 0.84 ALDH1A1 (0.58) TNF
SCHEMBL18366454 0.82 TLR8 (0.56) TNF
SCHEMBL10986597 0.82 TNF (0.48) TNFCNR2
SCHEMBL25424436 0.82 AMPD2 (0.45) AMPD2
SCHEMBL47378 0.81 FPR2 (0.47) TNF
SCHEMBL1838525 0.81 TNF (0.47) TNFCNR2
SCHEMBL5654147 0.80 TNF (0.46) TNFCNR2
SCHEMBL21167189 0.79 FPR2 (0.46) TNF
SCHEMBL3460377 0.78 TNF (0.48) TNFCNR2
SCHEMBL5857799 0.77 ESR1 (0.63) TNFCNR2

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 TNF 4370/4885AMPD2 2005/4885CNR2 170/4885

“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.