SCHEMBL18015289

SCHEMBL18015289

c1nc2cc3c(cc2[nH]1)C1CCC3CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.69
▸ CHRNA4 P43681 2/20 0.69
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PRKCI P41743 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ MMP12 P39900 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CHRNG P07510 1/20 0.36

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
SCHEMBL14511179 0.75 MAPT (0.68) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL23123589 0.73 MAPT (0.45) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL12445185 0.73 MAPT (0.65) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL2136974 0.66 MAPT (0.56) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL10885707 0.66 MAPT (0.56) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL8370769 0.66 MAPT (0.56) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL352396 0.66 MAPT (0.70) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL5766962 0.64 MAPT (0.48) CHRNB2CHRNA4MAPTKDM4EALDH1A1
SCHEMBL3925343 0.64 MAPT (0.48) CHRNB2CHRNA4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22748994 0.64 MAPT (0.68) CHRNB2CHRNA4MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312612-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-10-05 — — US disclosed
US-20230312612-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-10-05 — — US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 — — US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 — — US disclosed
WO-2022002772-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 — — WO disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 — — US disclosed
WO-2021185712-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 — — WO disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 — — US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 — — EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 — — US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 — — EP disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 — — WO disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 — — EP disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 — — WO 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 (6 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC CHRNB2 2306/4885CHRNA4 831/4885MAPT 2450/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 CHRNB2 1688/4885CHRNA4 1232/4885MAPT 639/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CHRNB2 843/4885CHRNA4 462/4885MAPT 1256/4885
US-20230312612-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, EED, CTCF CHRNB2 1137/4885CHRNA4 802/4885MAPT 1648/4885
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, CTCF, EED CHRNB2 1012/4885CHRNA4 862/4885MAPT 1545/4885

“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.

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