SCHEMBL21025017

SCHEMBL21025017

Cn1ccnc1CCCC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
FDPS P14324 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LPO P22079 1/20 0.36
DRD4 P21917 1/20 0.34
TRPM5 Q9NZQ8 2/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NAMPT P43490 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12384311 0.89 FDPS (0.45) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL7166348 0.84 FDPS (0.46) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL2398203 0.84 FDPS (0.46) FNTAFNTBFDPSKMT2AMEN1
Water SCHEMBL29120398 0.82 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL7152443 0.82 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL2399728 0.82 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL2393253 0.82 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL2395476 0.82 FDPS (0.44) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL7154948 0.80 FDPS (0.48) FNTAFNTBFDPSKMT2AMEN1
SCHEMBL40842 0.79 KMT2A (0.46) FNTAFNTBFDPSKMT2AMEN1

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 FNTA 3263/4885FNTB 3358/4885FDPS 2178/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 FNTA 3263/4885FNTB 3358/4885FDPS 2178/4885

“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.