SCHEMBL20786901

SCHEMBL20786901

O=c1c2ccc(Br)cc2ccn1CCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.41
▸ PSMB1 P20618 3/20 0.40
▸ PSMB5 P28074 3/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35

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
SCHEMBL20809182 0.91 PSMB1 (0.41) TNFPSMB1PSMB5GRM2MEN1
SCHEMBL22445639 0.87 TNF (0.37) TNFPSMB1PSMB5GRM2MEN1
SCHEMBL20786928 0.85 HDAC3 (0.47) TNFPSMB1PSMB5GRM2MEN1
SCHEMBL1725380 0.85 TNF (0.39) TNFPSMB1PSMB5GRM2KMT2A
SCHEMBL6923560 0.82 GRM2 (0.55) TNFPSMB1PSMB5GRM2HSP90AB1
SCHEMBL20808710 0.82 PSMB1 (0.41) TNFPSMB1PSMB5GRM2HSP90AB1
SCHEMBL582560 0.81 HSP90AB1 (0.53) TNFPSMB1PSMB5GRM2HSP90AB1
SCHEMBL20786888 0.80 PSMB1 (0.39) TNFPSMB1PSMB5GRM2HSP90AB1
SCHEMBL25897715 0.80 HTR2A (0.49) TNFPSMB1PSMB5GRM2HSP90AB1
SCHEMBL1919918 0.79 PSMB1 (0.53) TNFPSMB1PSMB5MEN1KMT2A

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 1295/4885PSMB1 3284/4885PSMB5 2461/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 TNF 1295/4885PSMB1 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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