SCHEMBL19781095

SCHEMBL19781095

CC(C)(C)c1ccc(C2CC(c3ccccc3Cl)CC(c3ccc(C(C)(C)C)cc3-c3ccc(-c4ccccn4)cc3-c3ccccc3)C2)c(-c2ccc(-c3ccccn3)cc2-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
FFAR2 O15552 1/20 0.34
METAP2 P50579 1/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDR P35968 1/20 0.32
PDK2 Q15119 2/20 0.32
DRD2 P14416 5/20 0.31
HTR2C P28335 5/20 0.31
DRD3 P35462 5/20 0.31
DRD4 P21917 4/20 0.31
DRD1 P21728 3/20 0.31
PDK4 Q16654 1/20 0.31
HIF1A Q16665 1/20 0.31
HTR1A P08908 2/20 0.31
HTR2A P28223 2/20 0.31
GRM5 P41594 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
SCHEMBL21477369 0.92 FFAR2 (0.34) FFAR2
SCHEMBL19780942 0.88 ABL1 (0.37) ABL1BCRTRPV1METAP2PDK2
SCHEMBL21480906 0.84 NPC1 (0.33)
SCHEMBL19780940 0.83 ADRA2A (0.33) ABL1BCR
SCHEMBL21125431 0.83 FFAR2 (0.34) FFAR2
SCHEMBL19780735 0.82 PDK2 (0.37) ABL1BCRTRPV1METAP2KDR
SCHEMBL21125918 0.82 FFAR2 (0.35) ABL1BCRTRPV1FFAR2METAP2
SCHEMBL19780734 0.78 ADRA2A (0.35) ABL1BCRPDK2
SCHEMBL19780939 0.78 LDHA (0.36) FFAR2KDRGRM5
SCHEMBL19780937 0.77 FFAR2 (0.34) ABL1BCRFFAR2

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 ABL1 2641/4885BCR 4083/4885TRPV1 1420/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ABL1 2641/4885BCR 4083/4885TRPV1 1420/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ABL1 2641/4885BCR 4083/4885TRPV1 1420/4885

“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.