SCHEMBL19780937

SCHEMBL19780937

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4Cl)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)C3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 1/20 0.33
GCKR Q14397 4/20 0.32
ADRA2A P08913 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PROKR1 Q8TCW9 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SCD O00767 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 1/20 0.31
SMO Q99835 2/20 0.31
ALOX5AP P20292 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
SCHEMBL21125918 0.93 FFAR2 (0.35) FFAR2ADRA1DADRA1AADRA1BGCKR
SCHEMBL19780912 0.93 ADRA2A (0.35) ADRA1DADRA1AADRA2AABL1BCR
SCHEMBL21480904 0.88 ABL1 (0.35) ADRA1DADRA1AADRA2AABL1BCR
SCHEMBL21477369 0.86 FFAR2 (0.34) FFAR2
SCHEMBL21125634 0.85 ALOX5AP (0.34) ADRA1DADRA1AADRA2AABL1BCR
SCHEMBL19780734 0.84 ADRA2A (0.35) ADRA1DADRA1AADRA2AABL1BCR
SCHEMBL19780946 0.83 NPC1 (0.39) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL19781102 0.83 LDHA (0.38) ADRA1DADRA1AADRA2ANPC1RAB9A
SCHEMBL21721913 0.83 ABL1 (0.34) ADRA1AADRA2AABL1BCRSCD
SCHEMBL19780940 0.82 ADRA2A (0.33) ADRA1DADRA1AADRA2AABL1BCR

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 FFAR2 4863/4885ADRA1D 4786/4885ADRA1A 4624/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 FFAR2 4863/4885ADRA1D 4786/4885ADRA1A 4624/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FFAR2 4863/4885ADRA1D 4786/4885ADRA1A 4624/4885

“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.