SCHEMBL1237553

SCHEMBL1237553

CC(C)(C(=N)N)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
EPHX1 P07099 1/20 0.31
SSTR4 P31391 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
Water SCHEMBL28697725 0.91 NOS2 (0.39) NOS2ALDH1A1CYP3A4MAPTCYP2D6
SCHEMBL8283504 0.76 EPHX1 (0.38) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL11316747 0.76 ALDH1A1 (0.38) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL11316752 0.76 ALDH1A1 (0.38) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL3064939 0.75 NOS2 (0.42) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL20629585 0.75 NOS2 (0.31) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL17818902 0.73 EPHX1 (0.38) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL17608724 0.71 MEN1 (0.34) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL3983126 0.71 MEN1 (0.37) NOS2ALDH1A1MEN1LMNAALOX12
SCHEMBL1876976 0.68 EPHX1 (0.39) ALDH1A1SMN1; SMN2CYP3A4MAPTEPHX1

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-20110046163-A1 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20110046163-A1 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
WO-2011022694-A2 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022694-A2 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 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 (1 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-20110046163-A1 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR17 NOS2 4420/4885ALDH1A1 1206/4885MEN1 3482/4885

“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.