SCHEMBL21024967

SCHEMBL21024967

CC(C)(C)Cc1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KIF11 P52732 6/20 0.44
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
THRB P10828 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPK1 P28482 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL20244065 0.91 KIF11 (0.49) MAPTKIF11PKMLMNAMAOA
SCHEMBL10264823 0.84 MAPT (0.50) MAPTKIF11PKMLMNAMAOA
SCHEMBL2056398 0.83 KIF11 (0.56) MAPTKIF11PKMLMNAMAOA
SCHEMBL19386409 0.83 AHR (0.51) KIF11MAOB
SCHEMBL2907966 0.80 MAPT (0.53) MAPTKIF11PKMLMNAMAOA
SCHEMBL18409213 0.79 CA9 (0.57) MAOAMAOB
SCHEMBL5766779 0.78 MAPT (0.50) MAPTKIF11PKMLMNAMAOA
SCHEMBL10333350 0.77 MAPT (0.46) MAPTKIF11PKMLMNAMAOA
SCHEMBL2054603 0.77 KIF11 (0.59) MAPTKIF11PKMIDO1MAPK1
SCHEMBL13814905 0.77 MAPT (0.50) MAPTLMNATHRB

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 MAPT 4056/4885KIF11 4075/4885PKM 874/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 MAPT 4056/4885KIF11 4075/4885PKM 874/4885

“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.