SCHEMBL12412596

SCHEMBL12412596

CC(=O)[C@H](Cc1cn(C)cn1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTOR P42345 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SCN9A Q15858 3/20 0.36
ACACB O00763 1/20 0.34
CPB2 Q96IY4 10/20 0.33
CPB1 P15086 4/20 0.33
CAPN1 P07384 1/20 0.32
TRHR P34981 1/20 0.32
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGDS O60760 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
SCHEMBL17293206 0.88 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1133628 0.88 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13187468 0.85 CYP2C9 (0.37) CYP2C9TSHRCYP2C19MTORHRH4
Sulfurous Acid SCHEMBL28479956 0.82 CYP2C9 (0.37) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL15132911 0.78 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
Aspartic Acid SCHEMBL22061784 0.77 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
Glycinebetaine SCHEMBL16755435 0.76 CYP2C9 (0.33) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL17641843 0.75 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13933558 0.75 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13612080 0.75 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-12-04 US disclosed
US-8790691-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-29 US disclosed
US-8568772-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-29 US disclosed
US-8545876-B1 Modified drugs for use in liposomal nanoparticles UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-01 US disclosed
US-8545877-B2 Modified drugs for use in liposomal nanoparticles UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-01 US disclosed
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-12 US disclosed
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 US disclosed
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-07-07 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 (7 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-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CYP2C9 1602/4885TSHR 3093/4885CYP2C19 2058/4885
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles ABCB11, SLC47A1, ABCB1 CYP2C9 3533/4885TSHR 2672/4885CYP2C19 4132/4885
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CYP2C9 1602/4885TSHR 3093/4885CYP2C19 2058/4885
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CYP2C9 1602/4885TSHR 3093/4885CYP2C19 2058/4885
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CYP2C9 1602/4885TSHR 3093/4885CYP2C19 2058/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 CYP2C9 3533/4885TSHR 2672/4885CYP2C19 4132/4885
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 CYP2C9 3533/4885TSHR 2672/4885CYP2C19 4132/4885

“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.