SCHEMBL21398050

SCHEMBL21398050

C1=C2CC(C2)c2cc3c(cc21)ncn3-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-n4cnc5cc6c(cc54)C4CCC6CC4)cc3)cc(-c3cccc(-c4cc(-c5ccccc5-c5ccc(-n6cnc7cc8c(cc76)C6CCC8CC6)cc5)cc(-c5ccccc5-c5ccc(-n6cnc7cc8c(cc76)C6CCC8CC6)cc5)c4)c3-c3ccc(-c4ncccn4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
PTK2B Q14289 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
PPP1CA P62136 1/20 0.32
TNK2 Q07912 1/20 0.31

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
SCHEMBL21398049 0.91 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL22563419 0.81 CHRNB2 (0.38) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL20006920 0.75 MAPT (0.55) MAPTKMT2ANPSR1PTK2BCYP1A2
SCHEMBL20006919 0.72 MAPT (0.38) MAPTKMT2ANPSR1PTK2BCYP1A2
SCHEMBL19794364 0.70 CHRNB2 (0.42) CHRNB2CHRNA4MAPTKMT2ANPSR1
SCHEMBL21397871 0.67 CYP1A2 (0.39) MAPTKMT2ANPSR1PTK2BCYP1A2
SCHEMBL21398047 0.61 TOP1 (0.40) MAPTKMT2ATHRB
SCHEMBL20006932 0.60 GRM5 (0.41) CYP1A2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL15615039 0.59 CHRNB2 (0.58) CHRNB2CHRNA4CYP1A2HTT
SCHEMBL18309499 0.58 CHRNB2 (0.71) CHRNB2CHRNA4HTT

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 CHRNB2 843/4885CHRNA4 462/4885MAPT 1256/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CHRNB2 843/4885CHRNA4 462/4885MAPT 1256/4885

“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.