SCHEMBL20809183

SCHEMBL20809183

COP(=O)(OC)OCCn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ PSMB1 P20618 3/20 0.36
▸ PSMB5 P28074 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20786912 0.87 HSD17B10 (0.42) TNFGRM2PSMB1PSMB5KDM4E
SCHEMBL20809186 0.79 TNF (0.40) TNFGRM2PSMB1PSMB5KDM4E
SCHEMBL6923560 0.77 GRM2 (0.55) TNFGRM2PSMB1PSMB5HTR2A
SCHEMBL31559241 0.77 PSMB1 (0.50) TNFPSMB1PSMB5KDM4EPOLB
SCHEMBL20786888 0.76 PSMB1 (0.39) TNFGRM2PSMB1PSMB5KDM4E
SCHEMBL20786928 0.75 HDAC3 (0.47) TNFGRM2PSMB1PSMB5HTR2A
SCHEMBL20808710 0.74 PSMB1 (0.41) TNFGRM2PSMB1PSMB5HTR2A
SCHEMBL20809182 0.74 PSMB1 (0.41) TNFGRM2PSMB1PSMB5KDM4E
SCHEMBL1500208 0.74 PSMB1 (0.43) TNFGRM2PSMB1PSMB5KDM4E
SCHEMBL22445638 0.74 MAPT (0.35) TNFGRM2PSMB1PSMB5KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 — — EP disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 — — US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 — — US disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 — — 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 (2 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 TNF 1295/4885GRM2 778/4885PSMB1 3284/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 TNF 1295/4885GRM2 778/4885PSMB1 3284/4885

“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.

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