SCHEMBL450612

SCHEMBL450612

CCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.60
CYP2D6 P10635 2/20 0.56
SPHK1 Q9NYA1 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.56
GMNN O75496 1/20 0.56
POLB P06746 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
BLM P54132 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CETP P11597 1/20 0.56
HTT P42858 1/20 0.56
UBE2N P61088 1/20 0.56
LAP3 P28838 2/20 0.50
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50

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
SCHEMBL6297852 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL29922417 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL16432729 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL444477 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL24017118 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL8934995 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL24017129 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL11454917 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL3974471 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL30514149 1.00 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523002-B2 Moisture curable organopolysiloxane compositions MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-12-20 US disclosed
US-20140316059-A1 MOISTURE CURABLE ORGANOPOLYSILOXANE COMPOSITIONS MOMENTIVE PERFORMANCE MATERIALS INC. 2014-10-23 US disclosed
US-20120065308-A1 MOISTURE CURABLE ORGANOPOLYSILOXANE COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. 2012-03-15 US disclosed
US-20120028960-A1 ABUSE DETERRENT AND ANTI-DOSE DUMPING PHARMACEUTICAL SALTS USEFUL FOR THE TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER PISGAH LABORATORIES, INC. 2012-02-02 US disclosed
EP-1918294-B1 Nanostructured Particles, Phase Change Inks Including Same and Methods for Making Same XEROX CORP (US) 2011-08-31 EP 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-20120028960-A1 ABUSE DETERRENT AND ANTI-DOSE DUMPING PHARMACEUTICAL SALTS USEFUL FOR THE TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER COMT, SLC6A3, SLC6A2 OPRM1 11/4885CYP2D6 12/4885SPHK1 3573/4885

“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.