SCHEMBL1341963

SCHEMBL1341963

N#CCCC(C#N)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
OPRM1 P35372 2/20 0.59
DRD3 P35462 2/20 0.59
CYP2D6 P10635 2/20 0.59
KCNA3 P22001 8/20 0.53
ATM Q13315 1/20 0.52
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CCR3 P51677 2/20 0.46
CHRM3 P20309 2/20 0.43
CCR1 P32246 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL6258542 0.87 DRD2 (0.68) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2312446 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL28481925 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL14127531 0.79 DRD2 (0.65) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9774391 0.79 CASP1 (0.51) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2313909 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL930701 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL12440029 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL4014770 0.79 DRD2 (0.65) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL4558605 0.78 KIF11 (0.48) DRD2DRD4OPRM1DRD3CYP2D6

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
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090133716-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 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 (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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 DRD2 4232/4885DRD4 4428/4885OPRM1 1399/4885

“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.