SCHEMBL21025342

SCHEMBL21025342

CCC(C)(C)Cc1nccn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.34
FDPS P14324 1/20 0.31
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR3C1 P04150 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL21025341 0.84 FDPS (0.33) FDPSFPR2MEN1KMT2ANR3C1
SCHEMBL4077931 0.77 MAPT (0.35) FPR2ADORA3ADORA2AADORA2BADORA1
SCHEMBL14254645 0.74 KCNH2 (0.35) FPR2KMT2AADORA3ADORA2AADORA2B
SCHEMBL859290 0.72 NR3C1 (0.33) FPR2NR3C1ADORA3ADORA2AADORA2B
SCHEMBL5654711 0.72 ADORA3 (0.35) FDPSFPR2MEN1KMT2ANR3C1
SCHEMBL13439283 0.72 ADORA3 (0.33) FPR2NR3C1ADORA3ADORA2AADORA2B
SCHEMBL1106473 0.72 ADORA2A (0.35) FPR2NR3C1ADORA3ADORA2AADORA2B
SCHEMBL18912116 0.71
SCHEMBL9444351 0.70 TLR7 (0.39) KMT2A
SCHEMBL23043665 0.69 ADORA3 (0.36) FPR2NR3C1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BRS3 223/4885FDPS 2178/4885FPR2 890/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 BRS3 223/4885FDPS 2178/4885FPR2 890/4885

“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.