SCHEMBL20067166

SCHEMBL20067166

CC(C)CCNC(=N)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.41
DNPEP Q9ULA0 4/20 0.41
RNPEP Q9H4A4 4/20 0.38
LAP3 P28838 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.33
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 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
Dichloroacetic Acid SCHEMBL11694552 0.87 ANPEP (0.40) ANPEPDNPEPRNPEPLAP3SMN1; SMN2
Dichloroacetic Acid SCHEMBL11698922 0.87 ANPEP (0.40) ANPEPDNPEPRNPEPLAP3SMN1; SMN2
SCHEMBL3948235 0.82
SCHEMBL27400015 0.81 TSHR (0.34)
Hydrochloric Acid SCHEMBL31026689 0.80 ANPEP (0.41) ANPEPDNPEPRNPEPLAP3ALDH1A1
SCHEMBL674969 0.79 MEN1 (0.32) CYP1A2SMN1; SMN2
SCHEMBL26254720 0.79 ANPEP (0.34) ANPEPDNPEPRNPEPALDH1A1CYP1A2
SCHEMBL4100175 0.78 CYP2D6 (0.39) CYP2C19MMP8
Hydrochloric Acid SCHEMBL11134107 0.77 CYP2D6 (0.38) CYP2C19MMP8
Hydrochloric Acid SCHEMBL27326502 0.77 CYP2D6 (0.38) CYP2C19MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344002-B2 Compositions and methods for treating metabolic disorders NUSIRT SCIENCES, INC. (US) 2019-07-09 US disclosed
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. 2018-04-19 US disclosed
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. 2018-04-19 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 (2 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-10344002-B2 Compositions and methods for treating metabolic disorders LIPC, PC, PNLIP ANPEP 1910/4885DNPEP 1085/4885RNPEP 1081/4885
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS LIPC, PC, PNLIP ANPEP 1910/4885DNPEP 1085/4885RNPEP 1081/4885

“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.