SCHEMBL21024978

SCHEMBL21024978

CCCCCCCC(C)(CCCC)Cc1nc(C)cn1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
SPNS2 Q8IVW8 1/20 0.33
CNR1 P21554 1/20 0.31
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 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
SCHEMBL26850283 0.75 CNR2 (0.33) CNR2SPNS2CNR1PTGS1PTGS2
SCHEMBL26849593 0.75 CNR2 (0.33) CNR2SPNS2CNR1PTGS1PTGS2
SCHEMBL21024979 0.73 MEN1 (0.35)
SCHEMBL9142029 0.72 SPNS2 (0.42) SPNS2
SCHEMBL19441617 0.70
SCHEMBL25007276 0.69 CNR2 (0.37) CNR2CNR1
SCHEMBL18386554 0.69 SMPD1 (0.31) CNR2CNR1
SCHEMBL13702951 0.68 PDE10A (0.37) SPNS2
SCHEMBL21719889 0.68 CNR2 (0.32) CNR2CNR1
SCHEMBL21982477 0.67 CYP2C9 (0.41) CNR2CNR1

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 CNR2 107/4885SPNS2 1575/4885CNR1 202/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 CNR2 107/4885SPNS2 1575/4885CNR1 202/4885

“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.