SCHEMBL19781177

SCHEMBL19781177

CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.58
KCNH2 Q12809 1/20 0.58
TGFBR1 P36897 1/20 0.52
ABL1 P00519 3/20 0.49
BCR P11274 3/20 0.49
SLC6A9 P48067 4/20 0.47
SLC6A7 Q99884 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL19780651 0.81 LDHA (0.56) MCHR1KCNH2
SCHEMBL15717218 0.79 MCHR1 (0.47) MCHR1KCNH2TGFBR1ABL1BCR
SCHEMBL8817882 0.77 ABL1 (0.48) MCHR1KCNH2ABL1BCRSLC6A9
SCHEMBL18573235 0.77 ABL1 (0.54) MCHR1KCNH2ABL1BCRSLC6A9
SCHEMBL204707 0.74 SLC6A7 (0.52) ABL1BCRSLC6A7TRPV1
SCHEMBL30447126 0.74 MAPT (0.57) ABL1BCRSLC6A7TRPV1
SCHEMBL29688109 0.74 SLC6A7 (0.52) ABL1BCRSLC6A7TRPV1
SCHEMBL933588 0.74 MAPT (0.57) ABL1BCRSLC6A7TRPV1
SCHEMBL27605053 0.73 SLC6A7 (0.55) ABL1BCRSLC6A7TRPV1
Hydrochloric Acid SCHEMBL6717689 0.72 SLC6A7 (0.51) ABL1BCRSLC6A7TRPV1

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 MCHR1 3775/4885KCNH2 216/4885TGFBR1 4562/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 MCHR1 3775/4885KCNH2 216/4885TGFBR1 4562/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 MCHR1 3775/4885KCNH2 216/4885TGFBR1 4562/4885

“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.