SCHEMBL10001209

SCHEMBL10001209

CN(CC(=O)C(C)(C)C)C(=N)N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.39
CA2 P00918 17/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL1054943 0.77
SCHEMBL19091682 0.75 RIPK1 (0.37) MEN1KMT2A
Creatine SCHEMBL27979093 0.75 NOS3 (0.46) CA1CA2NOS3NOS1NOS2
SCHEMBL14375590 0.75 CHRM1 (0.38) KMT2A
Creatine SCHEMBL21567 0.75
Creatine SCHEMBL30063981 0.75
SCHEMBL430835 0.75
Creatine SCHEMBL4007614 0.75 NOS3 (0.46) CA1CA2NOS3NOS1NOS2
SCHEMBL20609595 0.74
SCHEMBL4587557 0.74 CA1 (0.36) CA1CA2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702448-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11702448-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-06-10 US disclosed
US-10960046-B2 Method of treating melanocortin-4 receptor pathway-associated disorders RHYTHM PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-10954268-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20210061852-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS RHYTHM PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20180194803-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS RHYTHM PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9845339-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-9845339-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-20140329743-A1 Method of Treating Melanocortin-4 Receptor-Associated Disorders in Heterozygous Carriers RHYTHM PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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 (8 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-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS MC4R, MC5R, MC3R CA1 4877/4885CA2 4778/4885NOS3 3560/4885
US-10960046-B2 Method of treating melanocortin-4 receptor pathway-associated disorders MC4R, MC5R, MC3R CA1 4865/4885CA2 4644/4885NOS3 3393/4885
US-20140329743-A1 Method of Treating Melanocortin-4 Receptor-Associated Disorders in Heterozygous Carriers MC4R, MC1R, MC2R CA1 4565/4885CA2 3705/4885NOS3 4305/4885
US-20210061852-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS MC4R, MC1R, MC2R CA1 4760/4885CA2 3814/4885NOS3 4488/4885
US-11702448-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers MC4R, MC1R, MC2R CA1 4760/4885CA2 3814/4885NOS3 4488/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CA1 2891/4885CA2 2549/4885NOS3 1273/4885
US-20180194803-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS MC4R, MC1R, MC2R CA1 4760/4885CA2 3814/4885NOS3 4488/4885
US-10954268-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers MC4R, MC1R, MC2R CA1 4760/4885CA2 3814/4885NOS3 4488/4885

“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.