SCHEMBL20786925

SCHEMBL20786925

CN(C)CCn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.44
▸ HTR2A P28223 4/20 0.44
▸ EGFR P00533 2/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ HTR1D P28221 4/20 0.40
▸ PSMB1 P20618 2/20 0.39
▸ PSMB5 P28074 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6923560 0.84 GRM2 (0.55) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL20786928 0.81 HDAC3 (0.47) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL20808710 0.81 PSMB1 (0.41) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL20809182 0.81 PSMB1 (0.41) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL1500208 0.80 PSMB1 (0.43) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL20786912 0.80 HSD17B10 (0.42) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL20786935 0.80 GRM2 (0.41) HTR2CHTR2AGRM2PSMB1PSMB5
SCHEMBL5310274 0.80 HTR6 (0.43) HTR2CHTR2AGRM2HTR1DTDP1
SCHEMBL20540198 0.79 HTR2C (0.61) HTR2CHTR2AEGFRHTR1D
SCHEMBL20786954 0.79 PSMB1 (0.41) HTR2CHTR2AGRM2PSMB1PSMB5

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 HTR2C 663/4885HTR2A 692/4885EGFR 608/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 HTR2C 663/4885HTR2A 692/4885EGFR 608/4885

“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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