SCHEMBL21025341

SCHEMBL21025341

CC(C)n1ccnc1CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
FPR2 P25090 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
SCHEMBL21025342 0.84 BRS3 (0.34) FDPSMEN1KMT2ANR3C1ADORA3
SCHEMBL13310648 0.80 FPR2 (0.50) FDPSMEN1KMT2AFPR2
SCHEMBL4077931 0.78 MAPT (0.35) ADORA3ADORA2AADORA2BADORA1FPR2
SCHEMBL1106473 0.76 ADORA2A (0.35) NR3C1ADORA3ADORA2AADORA2BADORA1
SCHEMBL13439283 0.76 ADORA3 (0.33) NR3C1ADORA3ADORA2AADORA2BADORA1
SCHEMBL859290 0.76 NR3C1 (0.33) NR3C1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5654711 0.76 ADORA3 (0.35) FDPSMEN1KMT2ANR3C1ADORA3
SCHEMBL14254645 0.74 KCNH2 (0.35) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL4404604 0.74 FDPS (0.56) FDPSMEN1KMT2A
SCHEMBL23043665 0.73 ADORA3 (0.36) NR3C1ADORA3ADORA2AADORA2BADORA1

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 FDPS 2178/4885MEN1 2449/4885KMT2A 751/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 FDPS 2178/4885MEN1 2449/4885KMT2A 751/4885

“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.