SCHEMBL51900

SCHEMBL51900

CCCCC(C#N)(CCCC)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CYP2D6 P10635 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
CCR1 P32246 4/20 0.41
ATM Q13315 1/20 0.41
CHRM3 P20309 5/20 0.40
KIF11 P52732 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11448920 0.90 EBP (0.51) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL11479026 0.90 EBP (0.51) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL3888982 0.89 EBP (0.51) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL11646369 0.89 SIGMAR1 (0.64) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL14541984 0.88 EBP (0.51) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL5753072 0.87 EBP (0.50) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL10442728 0.87 EBP (0.62) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL10605371 0.85 EBP (0.61) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL1308790 0.84 SIGMAR1 (0.56) EBPSIGMAR1CYP2D6DRD2DRD4
SCHEMBL11363365 0.84 EBP (0.47) EBPSIGMAR1CYP2D6DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426596-B2 Process of producing bleach boosters BASF AKTIENGESELLSCHAFT (DE) 2013-04-23 US disclosed
US-8129531-B2 Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization BASF AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2011-12-29 US disclosed
CN-101198685-B Process of producing bleach boosters BASF AG 2011-10-05 CN disclosed
EP-1891192-B1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY PROCTER & GAMBLE (US) 2009-12-16 EP disclosed
US-7504371-B2 Organic catalyst with enhanced enzyme compatibility THE PROCTER & GAMBLE COMPANY (US) 2009-03-17 US disclosed
US-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
CN-101198685-A Process of producing bleach boosters BASF SE (DE) 2008-06-11 CN disclosed
EP-1896561-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2008-03-12 EP disclosed
EP-1891192-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY The Procter and Gamble Company (US) 2008-02-27 EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2007001261-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO disclosed
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2006-12-21 US disclosed
WO-2006134144-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 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-20080214819-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT EBP 2262/4885SIGMAR1 4021/4885CYP2D6 531/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO EBP 4378/4885SIGMAR1 1978/4885CYP2D6 285/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT EBP 2262/4885SIGMAR1 4021/4885CYP2D6 531/4885

“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.