SCHEMBL5796029

SCHEMBL5796029

CCN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.47
WDR77 Q9BQA1 2/20 0.47
GRM5 P41594 4/20 0.47
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
SRD5A1 P18405 1/20 0.43
HSD17B3 P37058 1/20 0.43
CYP2D6 P10635 2/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 8/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HIF1A Q16665 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
SCHEMBL1817669 0.88 GRM5 (0.61) PRMT5WDR77GRM5SRD5A1KCNH2
SCHEMBL24168658 0.84 GRM5 (0.58) PRMT5WDR77GRM5SRD5A1HRH3
SCHEMBL30334931 0.84 GRM5 (0.58) PRMT5WDR77GRM5SRD5A1HRH3
SCHEMBL1029578 0.84 HSD17B3 (0.49) PRMT5WDR77GRM5PARP10PARP11
SCHEMBL27822202 0.84 PRMT5 (0.47) PRMT5WDR77GRM5PARP10PARP11
SCHEMBL30162812 0.84 PRMT5 (0.53) PRMT5WDR77GRM5PARP10PARP11
SCHEMBL24934195 0.84 PRMT5 (0.53) PRMT5WDR77GRM5PARP10PARP11
SCHEMBL17511486 0.83 GRM5 (0.57) PRMT5WDR77GRM5SRD5A1HRH3
SCHEMBL8001449 0.83 GRM5 (0.48) GRM5PARP10PARP11SRD5A1CYP2D6
SCHEMBL3654900 0.82 PRMT5 (0.51) PRMT5WDR77GRM5PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264920-B CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof 中国药科大学 2022-09-02 CN disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
CN-113264920-A CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof 中国药科大学 2021-08-17 CN 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
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US 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 (3 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP PRMT5 3308/4885WDR77 4429/4885GRM5 4093/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 PRMT5 2649/4885WDR77 2528/4885GRM5 225/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 PRMT5 2649/4885WDR77 2528/4885GRM5 225/4885

“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.