SCHEMBL20000860

SCHEMBL20000860

CC(C)C[C@H]1CN=C(N=C(N)N)N1C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
MEN1 O00255 2/20 0.32
OPRK1 P41145 2/20 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
SCHEMBL20067155 1.00 KMT2A (0.33) KMT2AMEN1OPRK1
SCHEMBL20000862 1.00 KMT2A (0.33) KMT2AMEN1OPRK1
SCHEMBL20000861 0.69 NOS3 (0.33)
SCHEMBL20067157 0.69 NOS3 (0.33)
SCHEMBL20000858 0.69 NOS3 (0.33)
SCHEMBL20000850 0.68 SORT1 (0.38)
SCHEMBL20067154 0.68 SORT1 (0.38)
SCHEMBL20067153 0.68 SORT1 (0.38)
SCHEMBL20000842 0.64
SCHEMBL20000843 0.64

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 4 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
WO-2018058109-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. (US) 2018-03-29 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 (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 KMT2A 2186/4885MEN1 1256/4885OPRK1 4688/4885
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS LIPC, PC, PNLIP KMT2A 2186/4885MEN1 1256/4885OPRK1 4688/4885

“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.