SCHEMBL1833412

SCHEMBL1833412

CC(C)(N)CC(C)(C)CCN

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35

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
SCHEMBL16312486 0.84 CYP2D6 (0.41) CYP2D6
SCHEMBL19709913 0.81 CYP2D6 (0.30) CYP2D6
SCHEMBL1956399 0.77
SCHEMBL936164 0.77 CYP2D6 (0.50) CYP2D6
SCHEMBL22081148 0.77
SCHEMBL14420410 0.77 FDPS (0.33)
SCHEMBL469502 0.75 CYP2D6 (0.56) CYP2D6
SCHEMBL10068356 0.74 CYP2D6 (0.33) CYP2D6
SCHEMBL13900814 0.74 CYP2D6 (0.33) CYP2D6
SCHEMBL13457671 0.74 GRM4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020115190-A1 NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS AGILEBIOTICS B.V. (NL) 2020-06-11 WO disclosed
EP-1601679-B1 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DETREY GMBH (DE) 2011-05-11 EP disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
EP-1437999-B1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2006-12-20 EP disclosed
US-20060246017-A1 Polymerizable phosphoric acid ester derivative and a dental composition employing it DENTSPLY DE TREY GMBH (DE) 2006-11-02 US disclosed
EP-1601679-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DETREY GmbH (DE) 2005-12-07 EP disclosed
US-20040266906-A1 Hydrolysis stable self-etching,self-priming adhesive KLEE JOACHIM (DE) 2004-12-30 US disclosed
WO-2004078100-A2 A POYMERIZABLE PHOSPHORIC ACID ESTER DERIVATIVE AND A DENTAL COMPOSITION EMPLOYING IT. DENTSPLY DE TREY GMBH (DE) 2004-09-16 WO disclosed
EP-1454911-A1 A polymerizable phosphoric acid ester derivative and a dental composition employing it DENTSPLY DETREY GmbH (DE) 2004-09-08 EP disclosed
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
EP-0864610-B1 Semiaromatic polyamide resin composition MITSUI CHEMICALS INC (JP) 2004-01-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 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 (3 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-20060246017-A1 Polymerizable phosphoric acid ester derivative and a dental composition employing it CBR1, HCAR1, OXSR1 CYP2D6 2265/4885
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 CYP2D6 4187/4885
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 CYP2D6 4187/4885

“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.