SCHEMBL4806424

SCHEMBL4806424

CCCCN(CCCC)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.50
KCNH2 Q12809 5/20 0.50
CHRM2 P08172 4/20 0.50
ADRA2A P08913 4/20 0.50
DRD1 P21728 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
CYP2C19 P33261 4/20 0.50
SLC6A2 P23975 3/20 0.50
HTR2A P28223 3/20 0.50
HRH1 P35367 3/20 0.50
ADRA1A P35348 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 1/20 0.50
OPRK1 P41145 1/20 0.50
KDM4E B2RXH2 5/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 4/20 0.45

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
SCHEMBL3226743 0.94 KCNH2 (0.49) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL9812726 0.93 KCNH2 (0.47) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL5677763 0.92 KCNH2 (0.44) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL10651317 0.92 KCNH2 (0.44) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL10654586 0.90 HRH1 (0.43) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL6446263 0.88 CYP2D6 (0.53) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL16491446 0.85 CHRM2 (0.60) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL16491470 0.85 CHRM2 (0.60) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL16491448 0.85 CHRM2 (0.60) CYP2D6KCNH2CHRM2ADRA2ADRD1
SCHEMBL16491456 0.85 CHRM2 (0.60) CYP2D6KCNH2CHRM2ADRA2ADRD1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
EP-0126950-B1 METHOD FOR MAKING AROMATIC ETHERS AND CATALYST USED IN SUCH METHOD GENERAL ELECTRIC COMPANY (US) 1991-07-31 EP claimed
US-4472564-A Method for making an enoxy stabilized room temperature vulcanizable organopolysiloxane composition which resists color change upon aging GENERAL ELECTRIC COMPANY (US) 1984-09-18 US claimed
US-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
WO-1987004149-A1 PHASE TRANSFER CATALYSTS MALLINCKRODT, INC. (US) 1987-07-16 WO disclosed
WO-1987004150-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS MALLINCKRODT, INC. (US) 1987-07-16 WO disclosed
US-4472564-A Method for making an enoxy stabilized room temperature vulcanizable organopolysiloxane composition which resists color change upon aging GENERAL ELECTRIC COMPANY (US) 1984-09-18 US disclosed
EP-0001965-B1 PROCESS FOR THE PREPARATION OF FOAMED MATERIALS BAYER AG (DE) 1982-12-15 EP disclosed
US-4189542-A Process for the production of foam moldings having an impervious outer skin using semi-prepolymer prepared from isocyanates such as isophorone diisocyanate BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
EP-0001965-A1 Process for the preparation of foamed materials BAYER AG (DE) 1979-05-30 EP disclosed
US-4006124-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION ABL1, AOC1, NPPA CYP2D6 2326/4885KCNH2 1485/4885CHRM2 2946/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 CYP2D6 1790/4885KCNH2 1130/4885CHRM2 2739/4885

“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.