SCHEMBL20786972

SCHEMBL20786972

O=c1c2ccc(Br)cc2ccn1CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
AGTR1 P30556 1/20 0.45
HSD17B10 Q99714 1/20 0.43
HSP90AB1 P08238 1/20 0.42
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HRH1 P35367 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL582811 0.81 HSP90AB1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20786962 0.78 GRM2 (0.40) HTTALDH1A1AGTR1GRM2DAO
SCHEMBL582560 0.76 HSP90AB1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2611462 0.75 HDAC1 (0.56) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL20786943 0.75 GRM2 (0.46) HSP90AB1GRM2DAO
SCHEMBL1725380 0.75 TNF (0.39) HDAC3HDAC1HDAC6ALDH1A1HSP90AB1
SCHEMBL20808710 0.74 PSMB1 (0.41) HSP90AB1GRM2DAO
SCHEMBL20809182 0.74 PSMB1 (0.41) ALDH1A1HSP90AB1GRM2KDM4E
SCHEMBL6923560 0.74 GRM2 (0.55) HDAC3HDAC1HDAC6HSP90AB1GRM2
SCHEMBL20786883 0.74 GRM2 (0.42) ALDH1A1AGTR1GRM2CYP3A4

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 HTT 4512/4885HDAC3 126/4885HDAC4 256/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 HTT 4512/4885HDAC3 126/4885HDAC4 256/4885

“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.