SCHEMBL21397935

SCHEMBL21397935

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C(C)(C)C)ccn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C(C)(C)C)ccn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.32
TGFBR1 P36897 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20006914 0.92 TRPV1 (0.33) TRPV1ABL1BCR
SCHEMBL21397875 0.90 KDM4E (0.38) TRPV1ABL1BCRKMT2ATGFBR1
SCHEMBL19794405 0.87 NPC1 (0.40) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL18015600 0.84 TRPV1 (0.46) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL19794448 0.84 TRPV1 (0.46) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL18015356 0.83 PIM1 (0.37) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL21397864 0.82 TRPV1 (0.32) TRPV1EDNRBEDNRACLK4ADRB2
SCHEMBL19933667 0.82 FAAH (0.39) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL18015301 0.82 NPC1 (0.44) TRPV1ABL1BCRRAB9ANPC1
SCHEMBL20006932 0.82 GRM5 (0.41) ABL1BCRRAB9ANPC1POLB

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 3 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
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

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 TRPV1 862/4885ABL1 3557/4885BCR 3642/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 TRPV1 862/4885ABL1 3557/4885BCR 3642/4885

“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.