SCHEMBL19780940

SCHEMBL19780940

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccccc4)C3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1D P25100 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TOP1 P11387 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
FAAH O00519 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
SCHEMBL21480906 0.97 NPC1 (0.33) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL19780942 0.96 ABL1 (0.37) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL19780734 0.95 ADRA2A (0.35) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL21477369 0.91 FFAR2 (0.34)
SCHEMBL19780735 0.91 PDK2 (0.37) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL21480904 0.90 ABL1 (0.35) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL19780912 0.88 ADRA2A (0.35) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL21125634 0.87 ALOX5AP (0.34) ADRA2AADRA1AADRA1DNPC1RAB9A
SCHEMBL21477352 0.85 LDHA (0.35) ADRA2AADRA1AADRA1DTOP1CHRNB2
SCHEMBL21480913 0.85 LDHA (0.35) ADRA2AADRA1AADRA1DTOP1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (3 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ADRA2A 4638/4885ADRA1A 4624/4885ADRA1D 4786/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ADRA2A 4638/4885ADRA1A 4624/4885ADRA1D 4786/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ADRA2A 4638/4885ADRA1A 4624/4885ADRA1D 4786/4885

“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.