SCHEMBL20786935

SCHEMBL20786935

CSCCn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.41
▸ PSMB1 P20618 3/20 0.39
▸ PSMB5 P28074 3/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.37
▸ TNF P01375 7/20 0.36
▸ HTR7 P34969 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NCEH1 Q6PIU2 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL20809225 0.84 GRM2 (0.41) GRM2HTR2AHTR2CHSP90AB1TNF
SCHEMBL6923560 0.84 GRM2 (0.55) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20786928 0.81 HDAC3 (0.47) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20809182 0.81 PSMB1 (0.41) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20808710 0.81 PSMB1 (0.41) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL1500208 0.80 PSMB1 (0.43) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20786925 0.80 HTR2C (0.44) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20786912 0.80 HSD17B10 (0.42) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20786954 0.79 PSMB1 (0.41) GRM2PSMB1PSMB5HTR2AHTR2C
SCHEMBL20786901 0.78 TNF (0.41) GRM2PSMB1PSMB5HTR2AHTR2C

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 GRM2 778/4885PSMB1 3284/4885PSMB5 2461/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 GRM2 778/4885PSMB1 3284/4885PSMB5 2461/4885

“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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