SCHEMBL21024979

SCHEMBL21024979

Cc1cn(C)c(CC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2512278 0.76
SCHEMBL8269744 0.74
SCHEMBL21024978 0.73 CNR2 (0.33)
SCHEMBL13702951 0.72 PDE10A (0.37) MEN1KMT2ACHRNB2CHRNA4GAA
SCHEMBL24248776 0.71 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL26298802 0.71 PDE10A (0.37) CHRNB2CHRNA4GAA
SCHEMBL12849515 0.71 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL13316187 0.68 TSHR (0.35) KMT2ACHRNB2CHRNA4GAA
SCHEMBL23562231 0.68 PDE10A (0.38) MEN1KMT2ACHRNB2CHRNA4GAA
SCHEMBL12341172 0.67 LRRK2 (0.33) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US 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-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 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 (4 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-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 MEN1 4224/4885KMT2A 3299/4885CHRNB2 2666/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 MEN1 4224/4885KMT2A 3299/4885CHRNB2 2666/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885CHRNB2 2591/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885CHRNB2 2591/4885

“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.