SCHEMBL1960413

SCHEMBL1960413

O=[C]N1CCCCC1N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL2386504 0.96 CYP2D6 (0.30) CYP2D6MEN1KMT2ALMNA
SCHEMBL3396062 0.96 CYP2D6 (0.30) CYP2D6MEN1KMT2ALMNA
SCHEMBL1308103 0.93 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL4484382 0.93 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL4630602 0.84 HTR6 (0.40)
SCHEMBL2461404 0.84 SMN1; SMN2 (0.33)
SCHEMBL28260019 0.74
SCHEMBL9740934 0.71 CTSL (0.35) CYP2D6MEN1KMT2ALMNA
SCHEMBL9740930 0.71 CTSL (0.35) CYP2D6MEN1KMT2ALMNA
SCHEMBL1307602 0.71 CHRNB2 (0.34) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233166-B2 Supramolecular functionalization of graphitic nanoparticles for drug delivery THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-01-12 US disclosed
US-20140017322-A1 SUPRAMOLECULAR FUNCTIONALIZATION OF GRAPHITIC NANOPARTICLES FOR DRUG DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-01-16 US disclosed
US-8535726-B2 Supramolecular functionalization of graphitic nanoparticles for drug delivery THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-09-17 US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 EP disclosed
EP-2182799-A1 SUPRAMOLECULAR FUNCTIONALIZATION OF GRAPHITIC NANOPARTICLES FOR DRUG DELIVERY The Board of Trustees of The Leland Stanford Junior University (US) 2010-05-12 EP disclosed
US-20090087493-A1 Supramolecular Functionalization of Graphitic Nanoparticles for Drug Delivery THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-04-02 US disclosed
WO-2009018092-A1 SUPRAMOLECULAR FUNCTIONALIZATION OF GRAPHITIC NANOPARTICLES FOR DRUG DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-02-05 WO disclosed
EP-0768895-B1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEV CORP (US) 2004-09-22 EP disclosed
US-5786344-A ADMINISTERING WITH AGENT WHICH INCREASES ACTIVITY OF GLUCURONOSYLTRANSFERASE OR DECREASES ACTIVITY OF BILIARY TRANSPORT PROTEIN ARCH DEVELOPMENT CORPORATION (US) 1998-07-28 US disclosed
EP-0768895-A1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEVELOPMENT CORPORATION (US) 1997-04-23 EP disclosed
WO-1996001127-A1 CAMPTOTHECIN DRUG COMBINATIONS AND MEDICAMENTS WITH REDUCED SIDE EFFECTS ARCH DEVELOPMENT CORPORATION (US) 1996-01-18 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-20090087493-A1 Supramolecular Functionalization of Graphitic Nanoparticles for Drug Delivery EPCAM, ILK, CD4 CYP2D6 232/4885MEN1 3243/4885KMT2A 4130/4885
US-20140017322-A1 SUPRAMOLECULAR FUNCTIONALIZATION OF GRAPHITIC NANOPARTICLES FOR DRUG DELIVERY ABCB1, CD63, EPCAM CYP2D6 36/4885MEN1 2803/4885KMT2A 3144/4885

“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.